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 50088835 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O InChI=1S/C32H53N7O7/c1-20(2)17-25(32(46)36-24(15-11-12-16-39(5,6)7)30(44)38-27(19-40)28(33)42)37-29(43)21(3)34-31(45)26(35-22(4)41)18-23-13-9-8-10-14-23/h8-10,13-14,20-21,24-27,40H,11-12,15-19H2,1-7H3,(H6-,33,34,35,36,37,38,41,42,43,44,45,46)/p+1/t21-,24-,25-,26-,27-/m0/s1 PWTPHMJTGGEKCZ-SJSXQSQASA-O 50009454 CHEMBL3234136 Chromobox protein homolog 1 43000 ChEMBL 10.1021/jm401487x 10.7270/Q2571DJ3 24625057 Simhadri, C; Daze, KD; Douglas, SF; Quon, TT; Dev, A; Gignac, MC; Peng, F; Heller, M; Boulanger, MJ; Wulff, JE; Hof, F University of Victoria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006583&target=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009454&enzyme=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search 90655573 103922466 CHEMBL3234136 C05546 ZINC13823659 1 MGKKQNKKKVEEVLEEEEEEYVVEKVLDRRVVKGKVEYLLKWKGFSDEDNTWEPEENLDCPDLIAEFLQSQKTAHETDKSEGGKRKADSDSEDKGEESKPKKKKEESEKPRGFARGLEPERIIGATDSSGELMFLMKWKNSDEADLVPAKEANVKCPQVVISFYEERLTWHSYPSEDDDKKDDKN 1DZ1,1GUW,2FMM,3F2U,3Q6S,5T1I,6D07 Chromobox protein homolog 1 CBX1_HUMAN P83916 P23197 50088836 COC(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)NC(CO)CO InChI=1S/C40H58N6O9/c1-26(41-38(52)33(23-27-13-7-6-8-14-27)44-36(50)29-18-20-30(21-19-29)40(54)55-5)35(49)45-34(28-15-9-10-16-28)39(53)43-32(17-11-12-22-46(2,3)4)37(51)42-31(24-47)25-48/h6-8,13-14,18-21,26,28,31-34,47-48H,9-12,15-17,22-25H2,1-5H3,(H4-,41,42,43,44,45,49,50,51,52,53)/p+1/t26-,32-,33-,34-/m0/s1 RVSBUVWESBGOMR-OPPLUPLLSA-O 50009555 CHEMBL3234443 Chromobox protein homolog 1 >500000 ChEMBL 10.1021/jm401487x 10.7270/Q2571DJ3 24625057 Simhadri, C; Daze, KD; Douglas, SF; Quon, TT; Dev, A; Gignac, MC; Peng, F; Heller, M; Boulanger, MJ; Wulff, JE; Hof, F University of Victoria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006583&target=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009555&enzyme=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search 90655634 242057403 CHEMBL3234443 C05546 1 MGKKQNKKKVEEVLEEEEEEYVVEKVLDRRVVKGKVEYLLKWKGFSDEDNTWEPEENLDCPDLIAEFLQSQKTAHETDKSEGGKRKADSDSEDKGEESKPKKKKEESEKPRGFARGLEPERIIGATDSSGELMFLMKWKNSDEADLVPAKEANVKCPQVVISFYEERLTWHSYPSEDDDKKDDKN 1DZ1,1GUW,2FMM,3F2U,3Q6S,5T1I,6D07 Chromobox protein homolog 1 CBX1_HUMAN P83916 P23197 50482134 CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O InChI=1S/C74H86BrN11O17S/c1-41(2)64(85-70(98)58(35-42-13-7-6-8-14-42)82-66(94)44-19-21-45(75)22-20-44)72(100)83-57(36-43-17-24-47(88)25-18-43)69(97)80-55(16-10-12-34-86(3,4)5)67(95)84-59(40-87)71(99)81-56(31-32-62(91)92)68(96)79-54(65(76)93)15-9-11-33-77-74(104)78-46-23-28-50(53(37-46)73(101)102)63-51-29-26-48(89)38-60(51)103-61-39-49(90)27-30-52(61)63/h6-8,13-14,17-30,37-39,41,54-59,64,87H,9-12,15-16,31-36,40H2,1-5H3,(H14-,76,77,78,79,80,81,82,83,84,85,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,104)/p+1/t54-,55-,56-,57-,58-,59-,64-/m0/s1 PEVAWROSZSGFCN-CKTDPEFMSA-O 50155932 CHEMBL3780489 Chromobox protein homolog 1 78400 ChEMBL 10.1021/acsmedchemlett.5b00378 10.7270/Q2222WNZ 26985288 Milosevich, N; Gignac, MC; McFarlane, J; Simhadri, C; Horvath, S; Daze, KD; Croft, CS; Dheri, A; Quon, TT; Douglas, SF; Wulff, JE; Paci, I; Hof, F University of Victoria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50155932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006583&target=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50155932&enzyme=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search 127032234 340133731 CHEMBL3780489 C05546 1 MGKKQNKKKVEEVLEEEEEEYVVEKVLDRRVVKGKVEYLLKWKGFSDEDNTWEPEENLDCPDLIAEFLQSQKTAHETDKSEGGKRKADSDSEDKGEESKPKKKKEESEKPRGFARGLEPERIIGATDSSGELMFLMKWKNSDEADLVPAKEANVKCPQVVISFYEERLTWHSYPSEDDDKKDDKN 1DZ1,1GUW,2FMM,3F2U,3Q6S,5T1I,6D07 Chromobox protein homolog 1 CBX1_HUMAN P83916 P23197 50484025 CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O InChI=1S/C73H84BrN11O17S/c1-5-53(78-69(97)57(35-41-13-7-6-8-14-41)82-65(93)43-19-21-44(74)22-20-43)66(94)83-58(36-42-17-24-46(87)25-18-42)70(98)80-55(16-10-12-34-85(2,3)4)67(95)84-59(40-86)71(99)81-56(31-32-62(90)91)68(96)79-54(64(75)92)15-9-11-33-76-73(103)77-45-23-28-49(52(37-45)72(100)101)63-50-29-26-47(88)38-60(50)102-61-39-48(89)27-30-51(61)63/h6-8,13-14,17-30,37-39,53-59,86H,5,9-12,15-16,31-36,40H2,1-4H3,(H14-,75,76,77,78,79,80,81,82,83,84,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,103)/p+1/t53-,54-,55-,56-,57-,58-,59-/m0/s1 DBUAWIKRKBNZMC-MQEJUTFJSA-O 50155893 CHEMBL3780712 Chromobox protein homolog 1 75000 ChEMBL 10.1021/acsmedchemlett.5b00378 10.7270/Q2222WNZ 26985288 Milosevich, N; Gignac, MC; McFarlane, J; Simhadri, C; Horvath, S; Daze, KD; Croft, CS; Dheri, A; Quon, TT; Douglas, SF; Wulff, JE; Paci, I; Hof, F University of Victoria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50155893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006583&target=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50155893&enzyme=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search 127032230 340133692 CHEMBL3780712 C05546 1 MGKKQNKKKVEEVLEEEEEEYVVEKVLDRRVVKGKVEYLLKWKGFSDEDNTWEPEENLDCPDLIAEFLQSQKTAHETDKSEGGKRKADSDSEDKGEESKPKKKKEESEKPRGFARGLEPERIIGATDSSGELMFLMKWKNSDEADLVPAKEANVKCPQVVISFYEERLTWHSYPSEDDDKKDDKN 1DZ1,1GUW,2FMM,3F2U,3Q6S,5T1I,6D07 Chromobox protein homolog 1 CBX1_HUMAN P83916 P23197 50484026 C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O InChI=1S/C72H82BrN11O17S/c1-40(76-68(96)56(34-41-12-6-5-7-13-41)82-65(93)43-18-20-44(73)21-19-43)64(92)81-57(35-42-16-23-46(86)24-17-42)69(97)79-54(15-9-11-33-84(2,3)4)66(94)83-58(39-85)70(98)80-55(30-31-61(89)90)67(95)78-53(63(74)91)14-8-10-32-75-72(102)77-45-22-27-49(52(36-45)71(99)100)62-50-28-25-47(87)37-59(50)101-60-38-48(88)26-29-51(60)62/h5-7,12-13,16-29,36-38,40,53-58,85H,8-11,14-15,30-35,39H2,1-4H3,(H14-,74,75,76,77,78,79,80,81,82,83,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,102)/p+1/t40-,53-,54-,55-,56-,57-,58-/m0/s1 LGOXKBJUNDKRRI-NAIDRFLWSA-O 50155931 CHEMBL3780251 Chromobox protein homolog 1 5500 ChEMBL 10.1021/acsmedchemlett.5b00378 10.7270/Q2222WNZ 26985288 Milosevich, N; Gignac, MC; McFarlane, J; Simhadri, C; Horvath, S; Daze, KD; Croft, CS; Dheri, A; Quon, TT; Douglas, SF; Wulff, JE; Paci, I; Hof, F University of Victoria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50155931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006583&target=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50155931&enzyme=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search 127031366 340133730 CHEMBL3780251 C05546 1 MGKKQNKKKVEEVLEEEEEEYVVEKVLDRRVVKGKVEYLLKWKGFSDEDNTWEPEENLDCPDLIAEFLQSQKTAHETDKSEGGKRKADSDSEDKGEESKPKKKKEESEKPRGFARGLEPERIIGATDSSGELMFLMKWKNSDEADLVPAKEANVKCPQVVISFYEERLTWHSYPSEDDDKKDDKN 1DZ1,1GUW,2FMM,3F2U,3Q6S,5T1I,6D07 Chromobox protein homolog 1 CBX1_HUMAN P83916 P23197 50520970 CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC InChI=1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-23,28-29,33-36,50H,10-11,15-16,19,24-27H2,1-9H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t29-,33-,34-,35-,36-/m0/s1 UMRRDXVUROEIKJ-JCXBGQGISA-N 50194259 CHEMBL3939958 Chromobox protein homolog 1 >100000 ChEMBL 10.1021/acs.jmedchem.6b00801 10.7270/Q2H1340D 27571219 Stuckey, JI; Simpson, C; Norris-Drouin, JL; Cholensky, SH; Lee, J; Pasca, R; Cheng, N; Dickson, BM; Pearce, KH; Frye, SV; James, LI University of North Carolina at Chapel Hill http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194259 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006583&target=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194259&enzyme=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search 101043861 375076402 CHEMBL3939958 1 MGKKQNKKKVEEVLEEEEEEYVVEKVLDRRVVKGKVEYLLKWKGFSDEDNTWEPEENLDCPDLIAEFLQSQKTAHETDKSEGGKRKADSDSEDKGEESKPKKKKEESEKPRGFARGLEPERIIGATDSSGELMFLMKWKNSDEADLVPAKEANVKCPQVVISFYEERLTWHSYPSEDDDKKDDKN 1DZ1,1GUW,2FMM,3F2U,3Q6S,5T1I,6D07 Chromobox protein homolog 1 CBX1_HUMAN P83916 P23197 51331463 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O InChI=1S/C54H67N9O12S/c1-30(2)24-41(52(72)60-40(14-10-11-23-63(4,5)6)50(70)62-43(29-64)48(55)68)61-49(69)31(3)57-51(71)42(25-32-12-8-7-9-13-32)59-46(67)21-22-56-54(76)58-33-15-18-36(39(26-33)53(73)74)47-37-19-16-34(65)27-44(37)75-45-28-35(66)17-20-38(45)47/h7-9,12-13,15-20,26-28,30-31,40-43,64H,10-11,14,21-25,29H2,1-6H3,(H10-,55,56,57,58,59,60,61,62,65,66,67,68,69,70,71,72,73,74,76)/p+1/t31-,40-,41-,42-,43-/m0/s1 SLIIQFIECPRWSD-KPZWOUCOSA-O 50538808 CHEMBL4646516 Chromobox protein homolog 1 2500 ChEMBL 10.1016/j.bmc.2019.115176 10.7270/Q26W9FM9 31753799 Milosevich, N; McFarlane, J; Gignac, MC; Li, J; Brown, TM; Wilson, CR; Devorkin, L; Croft, CS; Hof, R; Paci, I; Lum, JJ; Hof, F University of Victoria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50538808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006583&target=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50538808&enzyme=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search 156019397 442140371 C05546 1 MGKKQNKKKVEEVLEEEEEEYVVEKVLDRRVVKGKVEYLLKWKGFSDEDNTWEPEENLDCPDLIAEFLQSQKTAHETDKSEGGKRKADSDSEDKGEESKPKKKKEESEKPRGFARGLEPERIIGATDSSGELMFLMKWKNSDEADLVPAKEANVKCPQVVISFYEERLTWHSYPSEDDDKKDDKN 1DZ1,1GUW,2FMM,3F2U,3Q6S,5T1I,6D07 Chromobox protein homolog 1 CBX1_HUMAN P83916 P23197 51331464 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O InChI=1S/C63H76N10O13S/c1-36(2)29-48(60(82)69-47(19-13-14-28-73(4,5)6)58(80)72-51(35-74)56(64)78)70-57(79)37(3)66-59(81)50(31-39-17-11-8-12-18-39)71-61(83)49(30-38-15-9-7-10-16-38)68-54(77)26-27-65-63(87)67-40-20-23-43(46(32-40)62(84)85)55-44-24-21-41(75)33-52(44)86-53-34-42(76)22-25-45(53)55/h7-12,15-18,20-25,32-34,36-37,47-51,74H,13-14,19,26-31,35H2,1-6H3,(H11-,64,65,66,67,68,69,70,71,72,75,76,77,78,79,80,81,82,83,84,85,87)/p+1/t37-,47-,48-,49-,50-,51-/m0/s1 DWHVELUHKZEMNM-CSSHXORXSA-O 50538809 CHEMBL4637043 Chromobox protein homolog 1 47000 ChEMBL 10.1016/j.bmc.2019.115176 10.7270/Q26W9FM9 31753799 Milosevich, N; McFarlane, J; Gignac, MC; Li, J; Brown, TM; Wilson, CR; Devorkin, L; Croft, CS; Hof, R; Paci, I; Lum, JJ; Hof, F University of Victoria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50538809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006583&target=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50538809&enzyme=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search 156011781 442140372 C05546 1 MGKKQNKKKVEEVLEEEEEEYVVEKVLDRRVVKGKVEYLLKWKGFSDEDNTWEPEENLDCPDLIAEFLQSQKTAHETDKSEGGKRKADSDSEDKGEESKPKKKKEESEKPRGFARGLEPERIIGATDSSGELMFLMKWKNSDEADLVPAKEANVKCPQVVISFYEERLTWHSYPSEDDDKKDDKN 1DZ1,1GUW,2FMM,3F2U,3Q6S,5T1I,6D07 Chromobox protein homolog 1 CBX1_HUMAN P83916 P23197 51331465 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O InChI=1S/C73H86BrN11O15S/c1-41(2)34-57(69(95)79-55(64(75)90)16-10-12-32-76-73(101)78-47-24-29-51(54(37-47)72(98)99)63-52-30-27-49(88)38-61(52)100-62-39-50(89)28-31-53(62)63)83-71(97)60(40-86)84-67(93)56(17-11-13-33-85(4,5)6)80-70(96)59(36-44-18-25-48(87)26-19-44)81-65(91)42(3)77-68(94)58(35-43-14-8-7-9-15-43)82-66(92)45-20-22-46(74)23-21-45/h7-9,14-15,18-31,37-39,41-42,55-60,86H,10-13,16-17,32-36,40H2,1-6H3,(H13-,75,76,77,78,79,80,81,82,83,84,87,88,89,90,91,92,93,94,95,96,97,98,99,101)/p+1/t42-,55-,56-,57-,58-,59-,60-/m0/s1 RTZWWZLSYSTNKU-VJMNTWHBSA-O 50538810 CHEMBL4647581 Chromobox protein homolog 1 1750 ChEMBL 10.1016/j.bmc.2019.115176 10.7270/Q26W9FM9 31753799 Milosevich, N; McFarlane, J; Gignac, MC; Li, J; Brown, TM; Wilson, CR; Devorkin, L; Croft, CS; Hof, R; Paci, I; Lum, JJ; Hof, F University of Victoria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50538810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006583&target=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50538810&enzyme=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search 156020698 442140373 C05546 1 MGKKQNKKKVEEVLEEEEEEYVVEKVLDRRVVKGKVEYLLKWKGFSDEDNTWEPEENLDCPDLIAEFLQSQKTAHETDKSEGGKRKADSDSEDKGEESKPKKKKEESEKPRGFARGLEPERIIGATDSSGELMFLMKWKNSDEADLVPAKEANVKCPQVVISFYEERLTWHSYPSEDDDKKDDKN 1DZ1,1GUW,2FMM,3F2U,3Q6S,5T1I,6D07 Chromobox protein homolog 1 CBX1_HUMAN P83916 P23197 51331466 C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O InChI=1S/C72H82BrN11O17S/c1-40(76-68(96)56(34-41-12-6-5-7-13-41)82-65(93)43-18-20-44(73)21-19-43)64(92)81-57(35-42-16-23-46(86)24-17-42)69(97)79-54(15-9-11-33-84(2,3)4)66(94)83-58(39-85)70(98)80-55(30-31-61(89)90)67(95)78-53(63(74)91)14-8-10-32-75-72(102)77-45-22-27-49(52(36-45)71(99)100)62-50-28-25-47(87)37-59(50)101-60-38-48(88)26-29-51(60)62/h5-7,12-13,16-29,36-38,40,53-58,85H,8-11,14-15,30-35,39H2,1-4H3,(H14-,74,75,76,77,78,79,80,81,82,83,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,102)/p+1/t40-,53-,54-,55-,56-,57-,58-/m0/s1 LGOXKBJUNDKRRI-NAIDRFLWSA-O 50155931 CHEMBL3780251 Chromobox protein homolog 1 4750 ChEMBL 10.1016/j.bmc.2019.115176 10.7270/Q26W9FM9 31753799 Milosevich, N; McFarlane, J; Gignac, MC; Li, J; Brown, TM; Wilson, CR; Devorkin, L; Croft, CS; Hof, R; Paci, I; Lum, JJ; Hof, F University of Victoria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50155931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006583&target=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50155931&enzyme=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search 127031366 340133730 CHEMBL3780251 C05546 1 MGKKQNKKKVEEVLEEEEEEYVVEKVLDRRVVKGKVEYLLKWKGFSDEDNTWEPEENLDCPDLIAEFLQSQKTAHETDKSEGGKRKADSDSEDKGEESKPKKKKEESEKPRGFARGLEPERIIGATDSSGELMFLMKWKNSDEADLVPAKEANVKCPQVVISFYEERLTWHSYPSEDDDKKDDKN 1DZ1,1GUW,2FMM,3F2U,3Q6S,5T1I,6D07 Chromobox protein homolog 1 CBX1_HUMAN P83916 P23197 51331467 CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O InChI=1S/C73H84BrN11O16S/c1-5-53(78-69(96)57(36-42-16-8-6-9-17-42)82-65(92)44-22-24-45(74)25-23-44)66(93)83-58(37-43-18-10-7-11-19-43)70(97)80-55(21-13-15-35-85(2,3)4)67(94)84-59(41-86)71(98)81-56(32-33-62(89)90)68(95)79-54(64(75)91)20-12-14-34-76-73(102)77-46-26-29-49(52(38-46)72(99)100)63-50-30-27-47(87)39-60(50)101-61-40-48(88)28-31-51(61)63/h6-11,16-19,22-31,38-40,53-59,86H,5,12-15,20-21,32-37,41H2,1-4H3,(H13-,75,76,77,78,79,80,81,82,83,84,87,88,89,90,91,92,93,94,95,96,97,98,99,100,102)/p+1/t53-,54-,55-,56-,57-,58-,59-/m0/s1 JZLPRLQRTFDCLM-MQEJUTFJSA-O 50538811 CHEMBL4640223 Chromobox protein homolog 1 180000 ChEMBL 10.1016/j.bmc.2019.115176 10.7270/Q26W9FM9 31753799 Milosevich, N; McFarlane, J; Gignac, MC; Li, J; Brown, TM; Wilson, CR; Devorkin, L; Croft, CS; Hof, R; Paci, I; Lum, JJ; Hof, F University of Victoria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50538811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006583&target=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50538811&enzyme=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search 156015347 442140374 C05546 1 MGKKQNKKKVEEVLEEEEEEYVVEKVLDRRVVKGKVEYLLKWKGFSDEDNTWEPEENLDCPDLIAEFLQSQKTAHETDKSEGGKRKADSDSEDKGEESKPKKKKEESEKPRGFARGLEPERIIGATDSSGELMFLMKWKNSDEADLVPAKEANVKCPQVVISFYEERLTWHSYPSEDDDKKDDKN 1DZ1,1GUW,2FMM,3F2U,3Q6S,5T1I,6D07 Chromobox protein homolog 1 CBX1_HUMAN P83916 P23197 51331468 CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O InChI=1S/C71H86BrN11O16S/c1-5-51(76-67(94)55(35-40-15-7-6-8-16-40)80-63(90)42-21-23-43(72)24-22-42)64(91)82-61(41-17-9-10-18-41)69(96)79-53(20-12-14-34-83(2,3)4)65(92)81-56(39-84)68(95)78-54(31-32-59(87)88)66(93)77-52(62(73)89)19-11-13-33-74-71(100)75-44-25-28-47(50(36-44)70(97)98)60-48-29-26-45(85)37-57(48)99-58-38-46(86)27-30-49(58)60/h6-8,15-16,21-30,36-38,41,51-56,61,84H,5,9-14,17-20,31-35,39H2,1-4H3,(H13-,73,74,75,76,77,78,79,80,81,82,85,86,87,88,89,90,91,92,93,94,95,96,97,98,100)/p+1/t51-,52-,53-,54-,55-,56-,61-/m0/s1 XSHXVWHTZPAYJC-TYYHSMTLSA-O 50538812 CHEMBL4635096 Chromobox protein homolog 1 3200 ChEMBL 10.1016/j.bmc.2019.115176 10.7270/Q26W9FM9 31753799 Milosevich, N; McFarlane, J; Gignac, MC; Li, J; Brown, TM; Wilson, CR; Devorkin, L; Croft, CS; Hof, R; Paci, I; Lum, JJ; Hof, F University of Victoria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50538812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006583&target=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50538812&enzyme=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search 156014697 442140375 C05546 1 MGKKQNKKKVEEVLEEEEEEYVVEKVLDRRVVKGKVEYLLKWKGFSDEDNTWEPEENLDCPDLIAEFLQSQKTAHETDKSEGGKRKADSDSEDKGEESKPKKKKEESEKPRGFARGLEPERIIGATDSSGELMFLMKWKNSDEADLVPAKEANVKCPQVVISFYEERLTWHSYPSEDDDKKDDKN 1DZ1,1GUW,2FMM,3F2U,3Q6S,5T1I,6D07 Chromobox protein homolog 1 CBX1_HUMAN P83916 P23197 51331469 CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O InChI=1S/C75H94N12O17S/c1-6-54(80-71(99)59(38-45-21-11-8-12-22-45)84-70(98)58(78-43(2)89)37-44-19-9-7-10-20-44)67(95)86-65(46-23-13-14-24-46)73(101)83-56(26-16-18-36-87(3,4)5)68(96)85-60(42-88)72(100)82-57(33-34-63(92)93)69(97)81-55(66(76)94)25-15-17-35-77-75(105)79-47-27-30-50(53(39-47)74(102)103)64-51-31-28-48(90)40-61(51)104-62-41-49(91)29-32-52(62)64/h7-12,19-22,27-32,39-41,46,54-60,65,88H,6,13-18,23-26,33-38,42H2,1-5H3,(H14-,76,77,78,79,80,81,82,83,84,85,86,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,105)/p+1/t54-,55-,56-,57-,58-,59-,60-,65-/m0/s1 KNTVOGGZZGGXNN-JSWZDDDHSA-O 50538813 CHEMBL4643012 Chromobox protein homolog 1 99000 ChEMBL 10.1016/j.bmc.2019.115176 10.7270/Q26W9FM9 31753799 Milosevich, N; McFarlane, J; Gignac, MC; Li, J; Brown, TM; Wilson, CR; Devorkin, L; Croft, CS; Hof, R; Paci, I; Lum, JJ; Hof, F University of Victoria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50538813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006583&target=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50538813&enzyme=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search 156016765 442140376 C05546 1 MGKKQNKKKVEEVLEEEEEEYVVEKVLDRRVVKGKVEYLLKWKGFSDEDNTWEPEENLDCPDLIAEFLQSQKTAHETDKSEGGKRKADSDSEDKGEESKPKKKKEESEKPRGFARGLEPERIIGATDSSGELMFLMKWKNSDEADLVPAKEANVKCPQVVISFYEERLTWHSYPSEDDDKKDDKN 1DZ1,1GUW,2FMM,3F2U,3Q6S,5T1I,6D07 Chromobox protein homolog 1 CBX1_HUMAN P83916 P23197 51331470 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O InChI=1S/C73H92N12O17S/c1-41(2)34-56(82-65(93)42(3)76-68(96)58(36-45-20-12-9-13-21-45)83-70(98)57(77-43(4)87)35-44-18-10-8-11-19-44)69(97)80-54(23-15-17-33-85(5,6)7)66(94)84-59(40-86)71(99)81-55(30-31-62(90)91)67(95)79-53(64(74)92)22-14-16-32-75-73(103)78-46-24-27-49(52(37-46)72(100)101)63-50-28-25-47(88)38-60(50)102-61-39-48(89)26-29-51(61)63/h8-13,18-21,24-29,37-39,41-42,53-59,86H,14-17,22-23,30-36,40H2,1-7H3,(H14-,74,75,76,77,78,79,80,81,82,83,84,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,103)/p+1/t42-,53-,54-,55-,56-,57-,58-,59-/m0/s1 RCSAYGIFQPCHRP-OVYBDDONSA-O 50538814 CHEMBL4640186 Chromobox protein homolog 1 110000 ChEMBL 10.1016/j.bmc.2019.115176 10.7270/Q26W9FM9 31753799 Milosevich, N; McFarlane, J; Gignac, MC; Li, J; Brown, TM; Wilson, CR; Devorkin, L; Croft, CS; Hof, R; Paci, I; Lum, JJ; Hof, F University of Victoria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50538814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006583&target=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50538814&enzyme=Chromobox+protein+homolog+1&column=ki&startPg=0&Increment=50&submit=Search 156015179 442140377 C05546 1 MGKKQNKKKVEEVLEEEEEEYVVEKVLDRRVVKGKVEYLLKWKGFSDEDNTWEPEENLDCPDLIAEFLQSQKTAHETDKSEGGKRKADSDSEDKGEESKPKKKKEESEKPRGFARGLEPERIIGATDSSGELMFLMKWKNSDEADLVPAKEANVKCPQVVISFYEERLTWHSYPSEDDDKKDDKN 1DZ1,1GUW,2FMM,3F2U,3Q6S,5T1I,6D07 Chromobox protein homolog 1 CBX1_HUMAN P83916 P23197