BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID of Ligand PubChem SID of Ligand ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence PDB ID(s) of Target Chain UniProt (SwissProt) Recommended Name of Target Chain UniProt (SwissProt) Entry Name of Target Chain UniProt (SwissProt) Primary ID of Target Chain UniProt (SwissProt) Secondary ID(s) of Target Chain UniProt (SwissProt) Alternative ID(s) of Target Chain UniProt (TrEMBL) Submitted Name of Target Chain UniProt (TrEMBL) Entry Name of Target Chain UniProt (TrEMBL) Primary ID of Target Chain UniProt (TrEMBL) Secondary ID(s) of Target Chain UniProt (TrEMBL) Alternative ID(s) of Target Chain 51031916 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1 GWNOTCOIYUNTQP-FQLXRVMXSA-N 50336345 4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride::APLAVIROC::CHEMBL1668019 C-C chemokine receptor type 5 Mus musculus 0.400000 ChEMBL 10.1016/j.ejmech.2018.01.085 10.7270/Q25X2CHH 29425816 Shah, HR; Savjani, JK Nirma University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336345&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3001322 125086447 CHEMBL1668019 C03491 ZINC03990418 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 51031920 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)C1CCCC1)c1ccccc1 InChI=1S/C33H42N4O6/c1-2-18-36(32(39)43-23-25-12-14-30(15-13-25)37(41)42)29-16-19-34(20-17-29)21-28-22-35(31(38)26-8-6-7-9-26)24-33(28,40)27-10-4-3-5-11-27/h2-5,10-15,26,28-29,40H,1,6-9,16-24H2/t28-,33-/m0/s1 JNSKQYZFEVKYDB-UVMMSNCQSA-N 50321682 CHEMBL1172035::nifeviroc C-C chemokine receptor type 5 Mus musculus 2.9 ChEMBL 10.1016/j.ejmech.2018.01.085 10.7270/Q25X2CHH 29425816 Shah, HR; Savjani, JK Nirma University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321682&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16663418 104143211 CHEMBL1172035 ZINC53295296 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120419 CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(Br)cc1 InChI=1S/C27H35BrN4O2/c1-19-9-14-29-20(2)24(19)26(33)31-17-12-27(3,13-18-31)32-15-10-22(11-16-32)25(30-34-4)21-5-7-23(28)8-6-21/h5-9,14,22H,10-13,15-18H2,1-4H3/b30-25+ YZDKZEBRKKYLLA-QCWLDUFUSA-N 50104940 CHEMBL323172::{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,4-dimethyl-pyridin-3-yl)-methanone C-C chemokine receptor type 5 Mus musculus 1.1 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104940&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9574357 104000737 CHEMBL323172 ZINC13474990 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120420 CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(OC(F)(F)F)cc1 InChI=1S/C29H37F3N4O4/c1-5-39-33-26(22-6-8-24(9-7-22)40-29(30,31)32)23-11-15-35(16-12-23)28(4)13-18-34(19-14-28)27(37)25-20(2)10-17-36(38)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3 MTHXVPHSKKLNEE-UHFFFAOYSA-N 50115527 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[ethoxyimino-(4-trifluoromethoxy-phenyl)-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-methanone::CHEMBL138274::CHEMBL318311 C-C chemokine receptor type 5 Mus musculus 4.4 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115527&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579331 104009442 CHEMBL138274CHEMBL318311 ZINC26848746 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120421 CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)S(C)(=O)=O InChI=1S/C29H40N4O5S/c1-6-38-30-27(23-7-9-25(10-8-23)39(5,36)37)24-12-16-32(17-13-24)29(4)14-19-31(20-15-29)28(34)26-21(2)11-18-33(35)22(26)3/h7-11,18,24H,6,12-17,19-20H2,1-5H3 XUKFFCVBZPYDCD-UHFFFAOYSA-N 50115537 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[ethoxyimino-(4-methanesulfonyl-phenyl)-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-methanone::CHEMBL106558::CHEMBL138263 C-C chemokine receptor type 5 Mus musculus 20 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115537&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579332 104009452 CHEMBL138263CHEMBL106558 ZINC26848148 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120422 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(N=O)c1ccc(Br)cc1 InChI=1S/C27H34BrN3O2/c1-19-5-4-6-20(2)24(19)26(32)30-17-13-27(3,14-18-30)31-15-11-22(12-16-31)25(29-33)21-7-9-23(28)10-8-21/h4-10,22,25H,11-18H2,1-3H3 ALVZFSRLNGMOQD-UHFFFAOYSA-N 50115530 CHEMBL106468::CHEMBL342452::{4-[(4-Bromo-phenyl)-hydroxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 Mus musculus 78 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115530&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 91932030 104009445 CHEMBL342452CHEMBL106468 ZINC13474987 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120423 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=N\OCc1ccccc1)\c1ccc(Br)cc1 InChI=1S/C34H40BrN3O2/c1-25-8-7-9-26(2)31(25)33(39)37-22-18-34(3,19-23-37)38-20-16-29(17-21-38)32(28-12-14-30(35)15-13-28)36-40-24-27-10-5-4-6-11-27/h4-15,29H,16-24H2,1-3H3/b36-32+ HUNRBJJETGRXCS-WIKZRCHHSA-N 50115547 CHEMBL317183::{4-[Benzyloxyimino-(4-bromo-phenyl)-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 Mus musculus >500 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115547&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44337315 104009462 CHEMBL317183 ZINC26847811 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120424 CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 InChI=1S/C29H38BrN3O2/c1-5-35-31-27(23-9-11-25(30)12-10-23)24-13-17-33(18-14-24)29(4)15-19-32(20-16-29)28(34)26-21(2)7-6-8-22(26)3/h6-12,24H,5,13-20H2,1-4H3/b31-27+ KFNRGFZWGOCXDB-TVKQRKNISA-N 50115528 (Z)-(4-((4-bromophenyl)(ethoxyimino)methyl)-4'-methyl-1,4'-bipiperidin-1'-yl)(2,6-dimethylphenyl)methanone::CHEMBL324643::{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 Mus musculus 2 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115528&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5479844 104009443 CHEMBL324643 ZINC26841222 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120425 CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(Br)cc1 InChI=1S/C28H37BrN4O2/c1-5-35-31-26(22-6-8-24(29)9-7-22)23-11-16-33(17-12-23)28(4)13-18-32(19-14-28)27(34)25-20(2)10-15-30-21(25)3/h6-10,15,23H,5,11-14,16-19H2,1-4H3/b31-26+ UCANOSVRVFBCJE-GKPLWNPISA-N 50104933 CHEMBL105821::{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,4-dimethyl-pyridin-3-yl)-methanone C-C chemokine receptor type 5 Mus musculus 1.1 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104933&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9575320 104000730 CHEMBL105821 ZINC26846879 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120426 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=O)c1ccc(Br)cc1 InChI=1S/C27H33BrN2O2/c1-19-5-4-6-20(2)24(19)26(32)29-17-13-27(3,14-18-29)30-15-11-22(12-16-30)25(31)21-7-9-23(28)10-8-21/h4-10,22H,11-18H2,1-3H3 FMNMLKWJLFYSMF-UHFFFAOYSA-N 50104939 (4-Bromo-phenyl)-[1'-(2,6-dimethyl-benzoyl)-4'-methyl-[1,4']bipiperidinyl-4-yl]-methanone::CHEMBL106209::[4-(4-Bromo-benzoyl)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 Mus musculus 54 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104939&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 457671 104000736 CHEMBL106209 ZINC13474980 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120427 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(cc2)-c2ccccc2)CC1 InChI=1S/C33H40N2O/c1-25-8-7-9-26(2)31(25)32(36)34-22-18-33(3,19-23-34)35-20-16-28(17-21-35)24-27-12-14-30(15-13-27)29-10-5-4-6-11-29/h4-15,28H,16-24H2,1-3H3 PUZLCPWAFDYXST-UHFFFAOYSA-N 50115545 (4-Biphenyl-4-ylmethyl-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,6-dimethyl-phenyl)-methanone::CHEMBL106264 C-C chemokine receptor type 5 Mus musculus 363 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115545&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511297 104009460 CHEMBL106264 ZINC13474979 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120428 CNC(=O)CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 InChI=1S/C30H39BrN4O3/c1-21-6-5-7-22(2)27(21)29(37)34-18-14-30(3,15-19-34)35-16-12-24(13-17-35)28(33-38-20-26(36)32-4)23-8-10-25(31)11-9-23/h5-11,24H,12-20H2,1-4H3,(H,32,36)/b33-28+ AKFKVWRGZGPBHW-PJJLUWSFSA-N 50115510 2-{(4-Bromo-phenyl)-[1'-(2,6-dimethyl-benzoyl)-4'-methyl-[1,4']bipiperidinyl-4-yl]-methyleneaminooxy}-N-methyl-acetamide::CHEMBL106790 C-C chemokine receptor type 5 Mus musculus 33 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115510&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579316 104009425 CHEMBL106790 ZINC26842235 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120429 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(Cl)cc2)CC1 InChI=1S/C27H35ClN2O/c1-20-5-4-6-21(2)25(20)26(31)29-17-13-27(3,14-18-29)30-15-11-23(12-16-30)19-22-7-9-24(28)10-8-22/h4-10,23H,11-19H2,1-3H3 CHLLENYTSNHZGS-UHFFFAOYSA-N 50115534 4-[(4-Chlorophenyl)methyl]-1'-(2,6-dimethylbenzoyl)-4'-methyl-1,4'-bipiperidine::CHEMBL106299::[4-(4-Chloro-benzyl)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 Mus musculus 68 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115534&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511294 104009449 CHEMBL106299 ZINC13474974 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120430 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=C)c1ccc(Br)cc1 InChI=1S/C28H35BrN2O/c1-20-6-5-7-21(2)26(20)27(32)30-18-14-28(4,15-19-30)31-16-12-24(13-17-31)22(3)23-8-10-25(29)11-9-23/h5-11,24H,3,12-19H2,1-2,4H3 ZPSNELIJNCRWKW-UHFFFAOYSA-N 50115542 CHEMBL107154::{4-[1-(4-Bromo-phenyl)-vinyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 Mus musculus 8 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115542&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511309 104009457 CHEMBL107154 ZINC13474983 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120431 CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[nH]c1=O)c1ccc(Br)cc1 InChI=1S/C27H35BrN4O3/c1-4-35-30-24(20-5-7-22(28)8-6-20)21-10-15-32(16-11-21)27(3)12-17-31(18-13-27)26(34)23-19(2)9-14-29-25(23)33/h5-9,14,21H,4,10-13,15-18H2,1-3H3,(H,29,33)/b30-24+ UDYZLBDATCUMND-BGABXYSRSA-N 50115515 CHEMBL322267::{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2-hydroxy-4-methyl-pyridin-3-yl)-methanone C-C chemokine receptor type 5 Mus musculus >30 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115515&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579322 104009430 CHEMBL322267 ZINC26940176 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120432 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(OC(F)(F)F)cc2)CC1 InChI=1S/C28H35F3N2O2/c1-20-5-4-6-21(2)25(20)26(34)32-17-13-27(3,14-18-32)33-15-11-23(12-16-33)19-22-7-9-24(10-8-22)35-28(29,30)31/h4-10,23H,11-19H2,1-3H3 XRUMZMCHUHDEQQ-UHFFFAOYSA-N 50115546 (2,6-Dimethyl-phenyl)-[4'-methyl-4-(4-trifluoromethoxy-benzyl)-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL317476 C-C chemokine receptor type 5 Mus musculus 55 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115546&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511305 104009461 CHEMBL317476 ZINC13474977 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120433 CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(N)cccc1Cl)c1ccc(Br)cc1 InChI=1S/C26H32BrClN4O2/c1-26(12-16-31(17-13-26)25(33)23-21(28)4-3-5-22(23)29)32-14-10-19(11-15-32)24(30-34-2)18-6-8-20(27)9-7-18/h3-9,19H,10-17,29H2,1-2H3/b30-24+ KHXJCLMSOWKPMR-BGABXYSRSA-N 50104936 (2-Amino-6-chloro-phenyl)-{4-[(4-bromo-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-methanone::CHEMBL105784 C-C chemokine receptor type 5 Mus musculus 3.4 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104936&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9574358 104000733 CHEMBL105784 ZINC26848881 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120434 CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1O)c1ccc(Br)cc1 InChI=1S/C27H34BrN3O3/c1-19-5-4-6-23(32)24(19)26(33)30-17-13-27(2,14-18-30)31-15-11-21(12-16-31)25(29-34-3)20-7-9-22(28)10-8-20/h4-10,21,32H,11-18H2,1-3H3/b29-25+ JLFLNZCJUVHUGI-XLVZBRSZSA-N 50104937 1'-(2-Hydroxy-6-methylbenzoyl)-4-[(Z)-(4-bromophenyl)-(methoxyimino)methyl]-4'-methyl-1,4'-bipiperidine::CHEMBL106767::{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2-hydroxy-6-methyl-phenyl)-methanone C-C chemokine receptor type 5 Mus musculus 18 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104937&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9574359 104000734 CHEMBL106767 ZINC13474988 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120435 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=N\Oc1ccccc1)\c1ccc(Br)cc1 InChI=1S/C33H38BrN3O2/c1-24-8-7-9-25(2)30(24)32(38)36-22-18-33(3,19-23-36)37-20-16-27(17-21-37)31(26-12-14-28(34)15-13-26)35-39-29-10-5-4-6-11-29/h4-15,27H,16-23H2,1-3H3/b35-31+ YPMFIWOXCFWBQO-JSLDZMDGSA-N 50115525 CHEMBL106573::{4-[(4-Bromo-phenyl)-phenoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 Mus musculus >30 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115525&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579317 104009440 CHEMBL106573 ZINC26845422 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120436 CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1ccc[n+]([O-])c1)c1ccc(Br)cc1 InChI=1S/C26H33BrN4O3/c1-3-34-28-24(20-6-8-23(27)9-7-20)21-10-15-30(16-11-21)26(2)12-17-29(18-13-26)25(32)22-5-4-14-31(33)19-22/h4-9,14,19,21H,3,10-13,15-18H2,1-2H3 ZUXIXEZANWTFBW-UHFFFAOYSA-N 50115552 CHEMBL107018::CHEMBL140922::{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(1-oxy-pyridin-3-yl)-methanone C-C chemokine receptor type 5 Mus musculus >30 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115552&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579323 104009467 CHEMBL107018CHEMBL140922 ZINC13474993 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120437 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=N\OCCO)\c1ccc(Br)cc1 InChI=1S/C29H38BrN3O3/c1-21-5-4-6-22(2)26(21)28(35)32-17-13-29(3,14-18-32)33-15-11-24(12-16-33)27(31-36-20-19-34)23-7-9-25(30)10-8-23/h4-10,24,34H,11-20H2,1-3H3/b31-27+ NJIVNGMVJMWZLI-TVKQRKNISA-N 50115509 CHEMBL106507::{4-[(4-Bromo-phenyl)-(2-hydroxy-ethoxyimino)-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 Mus musculus 62 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115509&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44337265 104009424 CHEMBL106507 ZINC26848739 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120438 CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1ccc[n+]([O-])c1C)c1ccc(Br)cc1 InChI=1S/C27H35BrN4O3/c1-4-35-29-25(21-7-9-23(28)10-8-21)22-11-16-31(17-12-22)27(3)13-18-30(19-14-27)26(33)24-6-5-15-32(34)20(24)2/h5-10,15,22H,4,11-14,16-19H2,1-3H3 UZWDISBQLUFQNF-UHFFFAOYSA-N 50115516 CHEMBL107373::CHEMBL140283::{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2-methyl-1-oxy-pyridin-3-yl)-methanone C-C chemokine receptor type 5 Mus musculus >30 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115516&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579324 104009431 CHEMBL107373CHEMBL140283 ZINC26841692 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120440 CO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Br)cc1 InChI=1S/C27H35BrN4O3/c1-19-9-16-32(34)20(2)24(19)26(33)30-17-12-27(3,13-18-30)31-14-10-22(11-15-31)25(29-35-4)21-5-7-23(28)8-6-21/h5-9,16,22H,10-15,17-18H2,1-4H3 UIJWAUWNFOKGHC-UHFFFAOYSA-N 50104941 CHEMBL106098::CHEMBL138198::{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone C-C chemokine receptor type 5 Mus musculus 19 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104941&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9574356 104000738 CHEMBL138198CHEMBL106098 ZINC26849134 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120441 CC(C)O\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 InChI=1S/C30H40BrN3O2/c1-21(2)36-32-28(24-9-11-26(31)12-10-24)25-13-17-34(18-14-25)30(5)15-19-33(20-16-30)29(35)27-22(3)7-6-8-23(27)4/h6-12,21,25H,13-20H2,1-5H3/b32-28+ XEXZQYWUVMECQG-VEWQFJOQSA-N 50115550 CHEMBL109008::{4-[(4-Bromo-phenyl)-isopropoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 Mus musculus 4 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115550&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579314 104009465 CHEMBL109008 ZINC26849357 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120442 CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(F)cc1 InChI=1S/C28H37FN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3 RKBTUANFFZVZKX-UHFFFAOYSA-N 50115536 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[ethoxyimino-(4-fluoro-phenyl)-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-methanone::CHEMBL107999::CHEMBL141345 C-C chemokine receptor type 5 Mus musculus 30 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115536&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579334 104009451 CHEMBL141345CHEMBL107999 ZINC13474997 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120443 CO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)C(F)(F)F InChI=1S/C28H35F3N4O3/c1-19-9-16-35(37)20(2)24(19)26(36)33-17-12-27(3,13-18-33)34-14-10-22(11-15-34)25(32-38-4)21-5-7-23(8-6-21)28(29,30)31/h5-9,16,22H,10-15,17-18H2,1-4H3 JOMKXVYAEOFACX-UHFFFAOYSA-N 50115531 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[methoxyimino-(4-trifluoromethyl-phenyl)-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-methanone::CHEMBL141301::CHEMBL320502 C-C chemokine receptor type 5 Mus musculus 5.3 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115531&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579326 104009446 CHEMBL141301CHEMBL320502 ZINC13474994 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120444 CO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)S(C)(=O)=O InChI=1S/C28H38N4O5S/c1-20-10-17-32(34)21(2)25(20)27(33)30-18-13-28(3,14-19-30)31-15-11-23(12-16-31)26(29-37-4)22-6-8-24(9-7-22)38(5,35)36/h6-10,17,23H,11-16,18-19H2,1-5H3 VPBHREZHCLGHFW-UHFFFAOYSA-N 50115535 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[(4-methanesulfonyl-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-methanone::CHEMBL138655::CHEMBL432636 C-C chemokine receptor type 5 Mus musculus 30 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115535&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579328 104009450 CHEMBL138655CHEMBL432636 ZINC26849966 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120445 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccccc2)CC1 InChI=1S/C27H36N2O/c1-21-8-7-9-22(2)25(21)26(30)28-18-14-27(3,15-19-28)29-16-12-24(13-17-29)20-23-10-5-4-6-11-23/h4-11,24H,12-20H2,1-3H3 SFQVZFORUREWSK-UHFFFAOYSA-N 50115520 (4-Benzyl-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,6-dimethyl-phenyl)-methanone::CHEMBL110270 C-C chemokine receptor type 5 Mus musculus 282 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115520&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11079978 104009435 CHEMBL110270 ZINC13474973 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120446 CC(C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 InChI=1S/C28H37BrN2O/c1-20-6-5-7-21(2)26(20)27(32)30-18-14-28(4,15-19-30)31-16-12-24(13-17-31)22(3)23-8-10-25(29)11-9-23/h5-11,22,24H,12-19H2,1-4H3 UHYXGTUWXYIOFH-UHFFFAOYSA-N 50115541 CHEMBL110871::{4-[1-(4-Bromo-phenyl)-ethyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 Mus musculus 62 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115541&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511299 104009456 CHEMBL110871 ZINC13474982 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120447 Cc1ccc(CC2CCN(CC2)C2(C)CCN(CC2)C(=O)c2c(C)cccc2C)cc1 InChI=1S/C28H38N2O/c1-21-8-10-24(11-9-21)20-25-12-16-30(17-13-25)28(4)14-18-29(19-15-28)27(31)26-22(2)6-5-7-23(26)3/h5-11,25H,12-20H2,1-4H3 KXMNHKYDYLLZNM-UHFFFAOYSA-N 50115513 (2,6-Dimethyl-phenyl)-[4'-methyl-4-(4-methyl-benzyl)-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL110786 C-C chemokine receptor type 5 Mus musculus 113 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115513&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511295 104009428 CHEMBL110786 ZINC03594471 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120448 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(cc2)S(C)(=O)=O)CC1 InChI=1S/C28H38N2O3S/c1-21-6-5-7-22(2)26(21)27(31)29-18-14-28(3,15-19-29)30-16-12-24(13-17-30)20-23-8-10-25(11-9-23)34(4,32)33/h5-11,24H,12-20H2,1-4H3 JYDQSSJQXSQYRG-UHFFFAOYSA-N 50115539 (2,6-Dimethyl-phenyl)-[4-(4-methanesulfonyl-benzyl)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL106982 C-C chemokine receptor type 5 Mus musculus 33 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115539&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511307 104009454 CHEMBL106982 ZINC03594458 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120449 CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccc[n+]1[O-])c1ccc(Br)cc1 InChI=1S/C27H35BrN4O3/c1-4-35-29-24(21-7-9-23(28)10-8-21)22-11-16-31(17-12-22)27(3)13-18-30(19-14-27)26(33)25-20(2)6-5-15-32(25)34/h5-10,15,22H,4,11-14,16-19H2,1-3H3/b29-24+ HSAKOKPUPOVOFH-RMLRFSFXSA-N 50115538 4-[(Z)-(4-Bromophenyl)(ethoxyimino)methyl]-4'-methyl-1'-[(3-methyl-2-pyridinyl)carbonyl]-1,4'-bipiperidine NOxide::CHEMBL317644::{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(3-methyl-1-oxy-pyridin-2-yl)-methanone C-C chemokine receptor type 5 Mus musculus 16 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115538&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579325 104009453 CHEMBL317644 ZINC26848832 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120450 CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1cccnc1C)c1ccc(Br)cc1 InChI=1S/C27H35BrN4O2/c1-4-34-30-25(21-7-9-23(28)10-8-21)22-11-16-32(17-12-22)27(3)13-18-31(19-14-27)26(33)24-6-5-15-29-20(24)2/h5-10,15,22H,4,11-14,16-19H2,1-3H3/b30-25+ GXJXVSDXVMSAIP-QCWLDUFUSA-N 50115519 4-[(Z)-(4-Bromophenyl)(ethoxyimino)methyl]-4'-methyl-1'-[(2-methyl-3-pyridinyl)carbonyl]-1,4'-bipiperidine::CHEMBL443999::{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2-methyl-pyridin-3-yl)-methanone C-C chemokine receptor type 5 Mus musculus 26 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115519&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579318 104009434 CHEMBL443999 ZINC13474991 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120451 CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)C(F)(F)F InChI=1S/C29H37F3N4O3/c1-5-39-33-26(22-6-8-24(9-7-22)29(30,31)32)23-11-15-35(16-12-23)28(4)13-18-34(19-14-28)27(37)25-20(2)10-17-36(38)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3 XTHDDZXLYYZMNX-UHFFFAOYSA-N 50115549 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[ethoxyimino-(4-trifluoromethyl-phenyl)-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-methanone::CHEMBL106533::CHEMBL261950 C-C chemokine receptor type 5 Mus musculus 3.8 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115549&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579330 104009464 CHEMBL106533CHEMBL261950 ZINC26847918 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120452 CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc(=O)[nH]c1C)c1ccc(Br)cc1 InChI=1S/C28H37BrN4O3/c1-5-36-31-26(21-6-8-23(29)9-7-21)22-10-14-33(15-11-22)28(4)12-16-32(17-13-28)27(35)25-19(2)18-24(34)30-20(25)3/h6-9,18,22H,5,10-17H2,1-4H3,(H,30,34)/b31-26+ XXBAQSKVZOMDJH-GKPLWNPISA-N 50115517 CHEMBL110757::{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(6-hydroxy-2,4-dimethyl-pyridin-3-yl)-methanone C-C chemokine receptor type 5 Mus musculus 7 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115517&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579320 104009432 CHEMBL110757 ZINC26851740 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120453 CO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(OC(F)(F)F)cc1 InChI=1S/C28H35F3N4O4/c1-19-9-16-35(37)20(2)24(19)26(36)33-17-12-27(3,13-18-33)34-14-10-22(11-15-34)25(32-38-4)21-5-7-23(8-6-21)39-28(29,30)31/h5-9,16,22H,10-15,17-18H2,1-4H3 YQCLAYRIYWYIKH-UHFFFAOYSA-N 50115522 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[methoxyimino-(4-trifluoromethoxy-phenyl)-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-methanone::CHEMBL106813::CHEMBL341945 C-C chemokine receptor type 5 Mus musculus 7.6 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115522&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579327 104009437 CHEMBL341945CHEMBL106813 ZINC26848826 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120454 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(I)cc2)CC1 InChI=1S/C27H35IN2O/c1-20-5-4-6-21(2)25(20)26(31)29-17-13-27(3,14-18-29)30-15-11-23(12-16-30)19-22-7-9-24(28)10-8-22/h4-10,23H,11-19H2,1-3H3 CPELYVWCRNINCS-UHFFFAOYSA-N 50115521 (2,6-Dimethyl-phenyl)-[4-(4-iodo-benzyl)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL106406 C-C chemokine receptor type 5 Mus musculus 33 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115521&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511303 104009436 CHEMBL106406 ZINC13474975 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120456 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(cc2)C(F)(F)F)CC1 InChI=1S/C28H35F3N2O/c1-20-5-4-6-21(2)25(20)26(34)32-17-13-27(3,14-18-32)33-15-11-23(12-16-33)19-22-7-9-24(10-8-22)28(29,30)31/h4-10,23H,11-19H2,1-3H3 GZYLUVFSBIJQAU-UHFFFAOYSA-N 50115543 (2,6-Dimethyl-phenyl)-[4'-methyl-4-(4-trifluoromethyl-benzyl)-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL107092 C-C chemokine receptor type 5 Mus musculus 25 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115543&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511304 104009458 CHEMBL107092 ZINC13474976 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120466 CCOC(=O)CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 InChI=1S/C31H40BrN3O4/c1-5-38-27(36)21-39-33-29(24-9-11-26(32)12-10-24)25-13-17-35(18-14-25)31(4)15-19-34(20-16-31)30(37)28-22(2)7-6-8-23(28)3/h6-12,25H,5,13-21H2,1-4H3/b33-29+ LUPDFQMYNBOGLB-XPXRSFDGSA-N 50115540 CHEMBL105779::{(4-Bromo-phenyl)-[1'-(2,6-dimethyl-benzoyl)-4'-methyl-[1,4']bipiperidinyl-4-yl]-methyleneaminooxy}-acetic acid ethyl ester C-C chemokine receptor type 5 Mus musculus 33 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115540&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579315 104009455 CHEMBL105779 ZINC26845922 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120471 CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(F)cccc1C(F)(F)F)c1ccc(Br)cc1 InChI=1S/C28H32BrF4N3O2/c1-3-38-34-25(19-7-9-21(29)10-8-19)20-11-15-36(16-12-20)27(2)13-17-35(18-14-27)26(37)24-22(28(31,32)33)5-4-6-23(24)30/h4-10,20H,3,11-18H2,1-2H3/b34-25+ XBGWFPDHOIKUGB-YQCHCMBFSA-N 50115511 CHEMBL321413::{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2-fluoro-6-trifluoromethyl-phenyl)-methanone C-C chemokine receptor type 5 Mus musculus 3 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115511&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579312 104009426 CHEMBL321413 ZINC26939930 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120472 CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1N)c1ccc(Br)cc1 InChI=1S/C27H35BrN4O2/c1-19-5-4-6-23(29)24(19)26(33)31-17-13-27(2,14-18-31)32-15-11-21(12-16-32)25(30-34-3)20-7-9-22(28)10-8-20/h4-10,21H,11-18,29H2,1-3H3/b30-25+ SIGNOFGQWWUQJS-QCWLDUFUSA-N 50104938 (2-Amino-6-methyl-phenyl)-{4-[(4-bromo-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-methanone::CHEMBL109158 C-C chemokine receptor type 5 Mus musculus 4.5 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104938&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9574360 104000735 CHEMBL109158 ZINC13474989 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120475 CO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Cl)cc1 InChI=1S/C27H35ClN4O3/c1-19-9-16-32(34)20(2)24(19)26(33)30-17-12-27(3,13-18-30)31-14-10-22(11-15-31)25(29-35-4)21-5-7-23(28)8-6-21/h5-9,16,22H,10-15,17-18H2,1-4H3 MIEXWOFJBWQLLQ-UHFFFAOYSA-N 50115518 CHEMBL106099::CHEMBL138143::{4-[(4-Chloro-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone C-C chemokine receptor type 5 Mus musculus 24 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115518&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579329 104009433 CHEMBL106099CHEMBL138143 ZINC13474995 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120478 COCCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 InChI=1S/C30H40BrN3O3/c1-22-6-5-7-23(2)27(22)29(35)33-18-14-30(3,15-19-33)34-16-12-25(13-17-34)28(32-37-21-20-36-4)24-8-10-26(31)11-9-24/h5-11,25H,12-21H2,1-4H3/b32-28+ BPFLSMSQDIWLJL-VEWQFJOQSA-N 50115526 CHEMBL107363::{4-[(4-Bromo-phenyl)-(2-methoxy-ethoxyimino)-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 Mus musculus 12 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115526&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44337251 104009441 CHEMBL107363 ZINC26845931 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120481 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(Br)cc2)CC1 InChI=1S/C27H35BrN2O/c1-20-5-4-6-21(2)25(20)26(31)29-17-13-27(3,14-18-29)30-15-11-23(12-16-30)19-22-7-9-24(28)10-8-22/h4-10,23H,11-19H2,1-3H3 ZVCMZXYHBQKEGX-UHFFFAOYSA-N 50104943 4-[(4-Bromophenyl)methyl]-1'-(2,6-dimethylbenzoyl)-4'-methyl-1,4'-bipiperidine::CHEMBL106247::[4-(4-Bromo-benzyl)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 Mus musculus 58 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104943&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 457875 104000740 CHEMBL106247 ZINC13474970 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120482 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(O)c1ccc(Br)cc1 InChI=1S/C27H35BrN2O2/c1-19-5-4-6-20(2)24(19)26(32)29-17-13-27(3,14-18-29)30-15-11-22(12-16-30)25(31)21-7-9-23(28)10-8-21/h4-10,22,25,31H,11-18H2,1-3H3 IYUGABYSRYTCQT-UHFFFAOYSA-N 50115524 CHEMBL323454::{4-[(4-Bromo-phenyl)-hydroxy-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 Mus musculus 190 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115524&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511298 104009439 CHEMBL323454 ZINC03594469 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120500 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=N\OC(C)(C)C)\c1ccc(Br)cc1 InChI=1S/C31H42BrN3O2/c1-22-8-7-9-23(2)27(22)29(36)34-20-16-31(6,17-21-34)35-18-14-25(15-19-35)28(33-37-30(3,4)5)24-10-12-26(32)13-11-24/h7-13,25H,14-21H2,1-6H3/b33-28+ RYDCEMWPUOVZIA-PJJLUWSFSA-N 50115529 CHEMBL418997::{4-[(4-Bromo-phenyl)-tert-butoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 Mus musculus 9 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115529&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579313 104009444 CHEMBL418997 ZINC26847272 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120501 CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc(C)[nH]c1=O)c1ccc(Br)cc1 InChI=1S/C28H37BrN4O3/c1-5-36-31-25(21-6-8-23(29)9-7-21)22-10-14-33(15-11-22)28(4)12-16-32(17-13-28)27(35)24-19(2)18-20(3)30-26(24)34/h6-9,18,22H,5,10-17H2,1-4H3,(H,30,34)/b31-25+ NSNVDTQEDMRJDI-QCKNELIISA-N 50115532 4-[(Z)-(4-Bromophenyl)(ethoxyimino)methyl]-1'-[(2-hydroxy-4,6-dimethyl-3-pyridinyl)carbonyl]-4'-methyl-1,4'-bipiperidine::CHEMBL110730::{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2-hydroxy-4,6-dimethyl-pyridin-3-yl)-methanone C-C chemokine receptor type 5 Mus musculus 43 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115532&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579321 104009447 CHEMBL110730 ZINC26940475 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120511 CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1cccnc1)c1ccc(Br)cc1 InChI=1S/C26H33BrN4O2/c1-3-33-29-24(20-6-8-23(27)9-7-20)21-10-15-31(16-11-21)26(2)12-17-30(18-13-26)25(32)22-5-4-14-28-19-22/h4-9,14,19,21H,3,10-13,15-18H2,1-2H3/b29-24+ OXWJECATMBDYIK-RMLRFSFXSA-N 50115551 CHEMBL108959::{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-pyridin-3-yl-methanone C-C chemokine receptor type 5 Mus musculus >30 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115551&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579319 104009466 CHEMBL108959 ZINC13474992 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120513 CC(=O)c1ccc(CC2CCN(CC2)C2(C)CCN(CC2)C(=O)c2c(C)cccc2C)cc1 InChI=1S/C29H38N2O2/c1-21-6-5-7-22(2)27(21)28(33)30-18-14-29(4,15-19-30)31-16-12-25(13-17-31)20-24-8-10-26(11-9-24)23(3)32/h5-11,25H,12-20H2,1-4H3 PGHGXGPMAYCWGK-UHFFFAOYSA-N 50115514 1-{4-[1'-(2,6-Dimethyl-benzoyl)-4'-methyl-[1,4']bipiperidinyl-4-ylmethyl]-phenyl}-ethanone::CHEMBL108845 C-C chemokine receptor type 5 Mus musculus 596 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115514&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511308 104009429 CHEMBL108845 ZINC03594456 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120516 CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 InChI=1S/C28H36BrN3O2/c1-20-6-5-7-21(2)25(20)27(33)31-18-14-28(3,15-19-31)32-16-12-23(13-17-32)26(30-34-4)22-8-10-24(29)11-9-22/h5-11,23H,12-19H2,1-4H3/b30-26+ VCJCJIKWNXQAAJ-URGPHPNLSA-N 50115512 CHEMBL324671::{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 Mus musculus 2.0 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115512&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5479846 104009427 CHEMBL324671 ZINC13474986 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120521 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Oc1ccc(Br)cc1 InChI=1S/C26H33BrN2O2/c1-19-5-4-6-20(2)24(19)25(30)28-17-13-26(3,14-18-28)29-15-11-23(12-16-29)31-22-9-7-21(27)8-10-22/h4-10,23H,11-18H2,1-3H3 URLJOVIBMPWIOI-UHFFFAOYSA-N 50104932 CHEMBL108569::[4-(4-Bromo-phenoxy)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 Mus musculus 29 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104932&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 457672 104000729 CHEMBL108569 ZINC13474984 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120522 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2cccc(Br)c2)CC1 InChI=1S/C27H35BrN2O/c1-20-6-4-7-21(2)25(20)26(31)29-16-12-27(3,13-17-29)30-14-10-22(11-15-30)18-23-8-5-9-24(28)19-23/h4-9,19,22H,10-18H2,1-3H3 INGBRKRPMVCKOQ-UHFFFAOYSA-N 50115533 CHEMBL110809::[4-(3-Bromo-benzyl)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 Mus musculus 67 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115533&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10961907 104009448 CHEMBL110809 ZINC13474971 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120523 CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Cl)cc1 InChI=1S/C28H37ClN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3 DLDMOIDCLHDMPT-UHFFFAOYSA-N 50115548 CHEMBL343826::CHEMBL419735::{4-[(4-Chloro-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone C-C chemokine receptor type 5 Mus musculus 5.6 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115548&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579333 104009463 CHEMBL343826CHEMBL419735 ZINC13474996 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120524 COc1ccc(CC2CCN(CC2)C2(C)CCN(CC2)C(=O)c2c(C)cccc2C)cc1 InChI=1S/C28H38N2O2/c1-21-6-5-7-22(2)26(21)27(31)29-18-14-28(3,15-19-29)30-16-12-24(13-17-30)20-23-8-10-25(32-4)11-9-23/h5-11,24H,12-20H2,1-4H3 LKDCAIVJHAMVHC-UHFFFAOYSA-N 50115523 (2,6-Dimethyl-phenyl)-[4-(4-methoxy-benzyl)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-methanone::1'-(2,6-Dimethylbenzoyl)-4'-methyl-4-[(4-methoxyphenyl)methyl]-1,4'-bipiperidine::CHEMBL106369 C-C chemokine receptor type 5 Mus musculus 155 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115523&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511306 104009438 CHEMBL106369 ZINC03594459 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120525 COc1ccc(cc1)S(=O)(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(F)c3ccccc23)cc1 InChI=1S/C35H37FN2O4S/c1-42-28-8-12-30(13-9-28)43(40,41)29-10-6-25(7-11-29)24-26-16-20-37(21-17-26)27-18-22-38(23-19-27)35(39)33-14-15-34(36)32-5-3-2-4-31(32)33/h2-15,26-27H,16-24H2,1H3 XVOCHVRQMXWEQB-UHFFFAOYSA-N 50104942 (4-Fluoro-naphthalen-1-yl)-{4-[4-(4-methoxy-benzenesulfonyl)-benzyl]-[1,4']bipiperidinyl-1'-yl}-methanone::CHEMBL109051 C-C chemokine receptor type 5 Mus musculus 1000 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104942&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44337326 104000739 CHEMBL109051 ZINC26850561 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120526 CSc1ccc(CC2CCN(CC2)C2(C)CCN(CC2)C(=O)c2c(C)cccc2C)cc1 InChI=1S/C28H38N2OS/c1-21-6-5-7-22(2)26(21)27(31)29-18-14-28(3,15-19-29)30-16-12-24(13-17-30)20-23-8-10-25(32-4)11-9-23/h5-11,24H,12-20H2,1-4H3 OQLJNIIPOOCAGL-UHFFFAOYSA-N 50115544 (2,6-Dimethyl-phenyl)-[4'-methyl-4-(4-methylsulfanyl-benzyl)-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL110463 C-C chemokine receptor type 5 Mus musculus 86 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115544&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511296 104009459 CHEMBL110463 ZINC13474978 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50120485 CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Br)cc1 InChI=1S/C28H37BrN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3 ZGDKVKUWTCGYOA-UHFFFAOYSA-N 50104931 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4''-methyl-[1,4'']bipiperidinyl-1''-yl)-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone::(4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4''''-methyl-[1,4'''']bipiperidinyl-1''''-yl)-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone::(4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone::3-(4-((4-bromophenyl)(ethoxyimino)methyl)-4''-methyl-1,4''-bipiperidine-1''-carbonyl)-1,2,4-trimethylpyridinium::CHEMBL336672::CHEMBL78535::SCH-351125::{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone C-C chemokine receptor type 5 Mus musculus 2.1 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104931&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9574343 104000728 CHEMBL78535CHEMBL336672 802 ZINC03964224 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50147088 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 UZHSEJADLWPNLE-GRGSLBFTSA-N 50000788 (morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::(naloxone) 4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::(naloxone)4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::(naloxone)4-allyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one (naloxone)::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one( Naloxone)::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one(Naxolone)::4-allyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::4-allyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one(naloxone)C2H2O4::Analog of 14-(Arylhydroxyamino)codeinone::NALOXONE::NARCAN::SUBOXONE::[17-(2,3-3H-2-propenyl)]-4, 5a -epoxy-3,14-dihydroxymorphinan-6-one C-C chemokine receptor type 5 Mus musculus 21 ChEMBL 10.1073/pnas.0700295104 10.7270/Q2SN08RG 17389363 Lunzer, MM; Yekkirala, A; Hebbel, RP; Portoghese, PS University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50000788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50000788&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5284596 103915330 7459 DB01183 1676 C07252 ZINC00389747 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50147089 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 UZHSEJADLWPNLE-GRGSLBFTSA-N 50000788 (morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::(naloxone) 4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::(naloxone)4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::(naloxone)4-allyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one (naloxone)::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one( Naloxone)::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one(Naxolone)::4-allyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::4-allyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one(naloxone)C2H2O4::Analog of 14-(Arylhydroxyamino)codeinone::NALOXONE::NARCAN::SUBOXONE::[17-(2,3-3H-2-propenyl)]-4, 5a -epoxy-3,14-dihydroxymorphinan-6-one C-C chemokine receptor type 5 Mus musculus 11 ChEMBL 10.1073/pnas.0700295104 10.7270/Q2SN08RG 17389363 Lunzer, MM; Yekkirala, A; Hebbel, RP; Portoghese, PS University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50000788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50000788&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5284596 103915330 7459 DB01183 1676 C07252 ZINC00389747 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50169088 CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@](O)(CC1)c1ccc2OCOc2c1 InChI=1S/C29H34F3N3O6/c1-2-39-25-16-35(21-8-10-28(38,11-9-21)19-6-7-23-24(13-19)41-17-40-23)15-22(25)34-26(36)14-33-27(37)18-4-3-5-20(12-18)29(30,31)32/h3-7,12-13,21-22,25,38H,2,8-11,14-17H2,1H3,(H,33,37)(H,34,36)/t21-,22-,25-,28-/m0/s1 MZEOSVPWMSEFPW-UTWBDPIXSA-N 50331728 CHEMBL1289316::N-(2-((3S,4S)-1-(cis-4-(benzo[d][1,3]dioxol-5-yl)-4-hydroxycyclohexyl)-4-ethoxypyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide C-C chemokine receptor type 5 Mus musculus >3000 ChEMBL 10.1016/j.bmcl.2010.10.020 10.7270/Q2TQ61S9 21036044 Xue, CB; Wang, A; Meloni, D; Zhang, K; Kong, L; Feng, H; Glenn, J; Huang, T; Zhang, Y; Cao, G; Anand, R; Zheng, C; Xia, M; Han, Q; Robinson, DJ; Storace, L; Shao, L; Li, M; Brodmerkel, CM; Covington, M; Scherle, P; Diamond, S; Yeleswaram, S; Vaddi, K; Newton, R; Hollis, G; Friedman, S; Metcalf, B Incyte Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331728&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10008367 123110843 CHEMBL1289316 777 ZINC64559635 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 51031928 CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCC\C(=C/c2c1)C(=O)Nc1ccc(cc1)[S@@+]([O-])Cc1cncn1CCC InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/b34-26+/t50-/m0/s1 PNDKCRDVVKJPKG-WHERJAGFSA-N 50306033 Cenicriviroc::TAK-652::TBR-652 C-C chemokine receptor type 5 Mus musculus 0.250000 ChEMBL 10.1016/j.ejmech.2018.01.085 10.7270/Q25X2CHH 29425816 Shah, HR; Savjani, JK Nirma University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50306033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50306033&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46226319 104160394 ZINC45351089 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50625079 CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F InChI=1S/C25H37F3N4O3/c1-17(2)24(7-4-19(15-24)30-20-6-13-35-16-21(20)34-3)23(33)32-11-9-31(10-12-32)22-14-18(5-8-29-22)25(26,27)28/h5,8,14,17,19-21,30H,4,6-7,9-13,15-16H2,1-3H3/t19-,20+,21-,24+/m1/s1 DQWSENNLMPJNRJ-WHLIWEHUSA-N 50337619 ((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(4-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methanone::((3S,4S)-N-[(1R,3S)-3-isopropyl-3-({4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}carbonyl)cyclopentyl]-3-methoxytetrahydro-2H-pyran-4-amine::CHEMBL1683074 C-C chemokine receptor type 5 Mus musculus 71 ChEMBL 10.1016/j.bmcl.2011.01.015 10.7270/Q22J6C4C 21295478 Zheng, C; Cao, G; Xia, M; Feng, H; Glenn, J; Anand, R; Zhang, K; Huang, T; Wang, A; Kong, L; Li, M; Galya, L; Hughes, RO; Devraj, R; Morton, PA; Rogier, DJ; Covington, M; Baribaud, F; Shin, N; Scherle, P; Diamond, S; Yeleswaram, S; Vaddi, K; Newton, R; Hollis, G; Friedman, S; Metcalf, B; Xue, CB Incyte Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337619&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 50992246 125087721 CHEMBL1683074 ZINC35873569 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50834278 C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1NC(C)=O InChI=1S/C23H25ClFN3O2/c1-16-14-27(15-18-3-8-21(25)9-4-18)11-12-28(16)23(30)10-6-19-5-7-20(24)13-22(19)26-17(2)29/h3-10,13,16H,11-12,14-15H2,1-2H3,(H,26,29)/b10-6+/t16-/m1/s1 DUFKTZBQJIHIAQ-VGZDNEPHSA-N 50174702 (R)-N-(2-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide::CHEMBL198949 C-C chemokine receptor type 5 Mus musculus >10000 ChEMBL 10.1016/j.bmcl.2005.08.057 10.7270/Q2C53MMD 16198561 Revesz, L; Bollbuck, B; Buhl, T; Eder, J; Esser, R; Feifel, R; Heng, R; Hiestand, P; Jachez-Demange, B; Loetscher, P; Sparrer, H; Schlapbach, A; Waelchli, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50174702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50174702&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11743399 104060492 CHEMBL198949 ZINC13985934 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 51031908 CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1 GSNHKUDZZFZSJB-QYOOZWMWSA-N 50334986 4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1S,5S)-3-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-1-phenyl-propyl}-amide::4,4-difluoro-N-((1S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-((1S,3S,5R)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::CHEMBL1201187::MARAVIROC::Selzentry::UK-427857 C-C chemokine receptor type 5 Mus musculus 5.2 ChEMBL 10.1016/j.ejmech.2018.01.085 10.7270/Q25X2CHH 29425816 Shah, HR; Savjani, JK Nirma University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334986&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3002977 125085088 CHEMBL1201187 803 ZINC03817234 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 51031915 COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C28H38F3N5O2/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3/h6-9,18-19,24H,10-17H2,1-5H3/t19-,24-/m0/s1 CNPVJJQCETWNEU-CYFREDJKSA-N 50145685 (4,6-Dimethyl-pyrimidin-5-yl)-(4-{(S)-4-[(R)-2-methoxy-1-(4-trifluoromethyl-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::CHEMBL82301 C-C chemokine receptor type 5 Mus musculus 0.910000 ChEMBL 10.1016/j.ejmech.2018.01.085 10.7270/Q25X2CHH 29425816 Shah, HR; Savjani, JK Nirma University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145685&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3009355 104034374 CHEMBL82301 807 ZINC22010579 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50929576 CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(ccc1NC(=O)NCC)C(F)(F)F InChI=1S/C28H38F3N5O4/c1-5-7-24(37)23(15-32-14-19-9-8-17(3)12-18(19)4)35-25(38)16-34-26(39)21-13-20(28(29,30)31)10-11-22(21)36-27(40)33-6-2/h8-13,23-24,32,37H,5-7,14-16H2,1-4H3,(H,34,39)(H,35,38)(H2,33,36,40)/t23-,24-/m0/s1 WMOYUNWNZFLZJG-ZEQRLZLVSA-N 50381177 CHEMBL2018386 C-C chemokine receptor type 5 Mus musculus 86 ChEMBL 10.1016/j.bmcl.2012.03.007 10.7270/Q2PN96MB 22475558 Carter, PH; Brown, GD; King, SR; Voss, ME; Tebben, AJ; Cherney, RJ; Mandlekar, S; Lo, YC; Yang, G; Miller, PB; Scherle, PA; Zhao, Q; Decicco, CP Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381177 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381177&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10281316 160860260 CHEMBL2018386 ZINC84617774 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50998384 CO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 InChI=1S/C28H36BrN3O2/c1-20-6-5-7-21(2)25(20)27(33)31-18-14-28(3,15-19-31)32-16-12-23(13-17-32)26(30-34-4)22-8-10-24(29)11-9-22/h5-11,23H,12-19H2,1-4H3/b30-26- VCJCJIKWNXQAAJ-BXVZCJGGSA-N 50104929 (4-{(4-Bromo-phenyl)-[(E)-methoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,6-dimethyl-phenyl)-methanone::(E)-{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone::(E/Z)-{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone::CHEMBL112760 C-C chemokine receptor type 5 Mus musculus 25 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104929&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5479845 104000726 CHEMBL112760 ZINC13474985 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867 50998385 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 InChI=1S/C29H38BrN3O2/c1-5-35-31-27(23-9-11-25(30)12-10-23)24-13-17-33(18-14-24)29(4)15-19-32(20-16-29)28(34)26-21(2)7-6-8-22(26)3/h6-12,24H,5,13-20H2,1-4H3/b31-27- KFNRGFZWGOCXDB-QVTSOHHYSA-N 50104935 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,6-dimethyl-phenyl)-methanone::(E)-{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone::(Z)-{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone::CHEMBL331140 C-C chemokine receptor type 5 Mus musculus 48 ChEMBL 10.1021/jm0200815 10.7270/Q2HD7TZJ 12086500 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002103&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104935&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5479843 104000732 CHEMBL331140 ZINC26985002 1 MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL C-C chemokine receptor type 5 CCR5_MOUSE P51682 O35313 O35891 P97308 P97405 Q3ZAZ8 Q61867