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 50251495 OC(=O)c1cc(Cl)ccc1\N=C\c1nc(oc1O)-c1ccc(c(F)c1)C(F)(F)F InChI=1S/C18H9ClF4N2O4/c19-9-2-4-13(10(6-9)16(26)27)24-7-14-17(28)29-15(25-14)8-1-3-11(12(20)5-8)18(21,22)23/h1-7,28H,(H,26,27)/b24-7+ ZJBPGCFRAKGMSZ-HCBMXOAHSA-N 50137227 5-Chloro-2-{[2-(3-fluoro-4-trifluoromethyl-phenyl)-5-oxo-oxazol-(4E)-ylidenemethyl]-amino}-benzoic acid::CHEMBL130278 Holo-[acyl-carrier-protein] synthase Bacillus subtilis 1100 ChEMBL 10.1016/j.bmcl.2003.10.032 10.7270/Q2B27TPZ 14684293 Gilbert, AM; Kirisits, M; Toy, P; Nunn, DS; Failli, A; Dushin, EG; Novikova, E; Petersen, PJ; Joseph-McCarthy, D; McFadyen, I; Fritz, CC Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137227 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003251&target=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137227&enzyme=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search 10387885 104027393 CHEMBL130278 ZINC13588220 1 MIYGIGLDITELKRIASMAGRQKRFAERILTRSELDQYYELSEKRKNEFLAGRFAAKEAFSKAFGTGIGRQLSFQDIEIRKDQNGKPYIICTKLSQAAVHVSITHTKEYAAAQVVIERLSS Holo-[acyl-carrier-protein] synthase ACPS_BACSU P96618 50251496 OC(=O)c1cc(I)ccc1\N=C\c1nc(oc1O)-c1ccc(Cl)cc1 InChI=1S/C17H10ClIN2O4/c18-10-3-1-9(2-4-10)15-21-14(17(24)25-15)8-20-13-6-5-11(19)7-12(13)16(22)23/h1-8,24H,(H,22,23)/b20-8+ QDUKGCGDZBDHEG-DNTJNYDQSA-N 50137229 2-{[2-(4-Chloro-phenyl)-5-oxo-oxazol-(4E)-ylidenemethyl]-amino}-5-iodo-benzoic acid::CHEMBL130832 Holo-[acyl-carrier-protein] synthase Bacillus subtilis 1300 ChEMBL 10.1016/j.bmcl.2003.10.032 10.7270/Q2B27TPZ 14684293 Gilbert, AM; Kirisits, M; Toy, P; Nunn, DS; Failli, A; Dushin, EG; Novikova, E; Petersen, PJ; Joseph-McCarthy, D; McFadyen, I; Fritz, CC Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003251&target=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137229&enzyme=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search 44353794 104027395 CHEMBL130832 ZINC13588214 1 MIYGIGLDITELKRIASMAGRQKRFAERILTRSELDQYYELSEKRKNEFLAGRFAAKEAFSKAFGTGIGRQLSFQDIEIRKDQNGKPYIICTKLSQAAVHVSITHTKEYAAAQVVIERLSS Holo-[acyl-carrier-protein] synthase ACPS_BACSU P96618 50251497 COc1ccc(cc1)-c1nc(\C=N\c2ccc(F)cc2C(O)=O)c(O)o1 InChI=1S/C18H13FN2O5/c1-25-12-5-2-10(3-6-12)16-21-15(18(24)26-16)9-20-14-7-4-11(19)8-13(14)17(22)23/h2-9,24H,1H3,(H,22,23)/b20-9+ WFUAGDQIZKEHJX-AWQFTUOYSA-N 50137228 5-Fluoro-2-{[2-(4-methoxy-phenyl)-5-oxo-oxazol-(4E)-ylidenemethyl]-amino}-benzoic acid::CHEMBL133468 Holo-[acyl-carrier-protein] synthase Bacillus subtilis >20000 ChEMBL 10.1016/j.bmcl.2003.10.032 10.7270/Q2B27TPZ 14684293 Gilbert, AM; Kirisits, M; Toy, P; Nunn, DS; Failli, A; Dushin, EG; Novikova, E; Petersen, PJ; Joseph-McCarthy, D; McFadyen, I; Fritz, CC Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137228 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003251&target=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137228&enzyme=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search 44353824 104027394 CHEMBL133468 ZINC13588217 1 MIYGIGLDITELKRIASMAGRQKRFAERILTRSELDQYYELSEKRKNEFLAGRFAAKEAFSKAFGTGIGRQLSFQDIEIRKDQNGKPYIICTKLSQAAVHVSITHTKEYAAAQVVIERLSS Holo-[acyl-carrier-protein] synthase ACPS_BACSU P96618 50251498 OC(=O)c1cc(Br)ccc1\N=C\c1nc(oc1O)-c1ccc(Cl)cc1 InChI=1S/C17H10BrClN2O4/c18-10-3-6-13(12(7-10)16(22)23)20-8-14-17(24)25-15(21-14)9-1-4-11(19)5-2-9/h1-8,24H,(H,22,23)/b20-8+ RSGPTOHBMUFPIT-DNTJNYDQSA-N 50137230 5-Bromo-2-{[2-(4-chloro-phenyl)-5-oxo-oxazol-(4E)-ylidenemethyl]-amino}-benzoic acid::CHEMBL339849 Holo-[acyl-carrier-protein] synthase Bacillus subtilis 3400 ChEMBL 10.1016/j.bmcl.2003.10.032 10.7270/Q2B27TPZ 14684293 Gilbert, AM; Kirisits, M; Toy, P; Nunn, DS; Failli, A; Dushin, EG; Novikova, E; Petersen, PJ; Joseph-McCarthy, D; McFadyen, I; Fritz, CC Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003251&target=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137230&enzyme=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search 44353796 104027396 CHEMBL339849 ZINC13588213 1 MIYGIGLDITELKRIASMAGRQKRFAERILTRSELDQYYELSEKRKNEFLAGRFAAKEAFSKAFGTGIGRQLSFQDIEIRKDQNGKPYIICTKLSQAAVHVSITHTKEYAAAQVVIERLSS Holo-[acyl-carrier-protein] synthase ACPS_BACSU P96618 50251499 OC(=O)c1cc(Cl)ccc1\N=C\c1nc(oc1O)-c1cccc(OC(F)(F)F)c1 InChI=1S/C18H10ClF3N2O5/c19-10-4-5-13(12(7-10)16(25)26)23-8-14-17(27)28-15(24-14)9-2-1-3-11(6-9)29-18(20,21)22/h1-8,27H,(H,25,26)/b23-8+ DXHOEHWTSQHKKV-LIMNOBDPSA-N 50137232 5-Chloro-2-{[5-oxo-2-(3-trifluoromethoxy-phenyl)-oxazol-(4E)-ylidenemethyl]-amino}-benzoic acid::CHEMBL133577 Holo-[acyl-carrier-protein] synthase Bacillus subtilis 20000 ChEMBL 10.1016/j.bmcl.2003.10.032 10.7270/Q2B27TPZ 14684293 Gilbert, AM; Kirisits, M; Toy, P; Nunn, DS; Failli, A; Dushin, EG; Novikova, E; Petersen, PJ; Joseph-McCarthy, D; McFadyen, I; Fritz, CC Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003251&target=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137232&enzyme=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search 44353635 104027398 CHEMBL133577 ZINC12421503 1 MIYGIGLDITELKRIASMAGRQKRFAERILTRSELDQYYELSEKRKNEFLAGRFAAKEAFSKAFGTGIGRQLSFQDIEIRKDQNGKPYIICTKLSQAAVHVSITHTKEYAAAQVVIERLSS Holo-[acyl-carrier-protein] synthase ACPS_BACSU P96618 50251500 Cc1ccc(\N=C\c2nc(oc2O)-c2cccc(OC(F)(F)F)c2)c(c1)C(O)=O InChI=1S/C19H13F3N2O5/c1-10-5-6-14(13(7-10)17(25)26)23-9-15-18(27)28-16(24-15)11-3-2-4-12(8-11)29-19(20,21)22/h2-9,27H,1H3,(H,25,26)/b23-9+ APGHJUROXBTIIB-NUGSKGIGSA-N 50137231 5-Methyl-2-{[5-oxo-2-(3-trifluoromethoxy-phenyl)-oxazol-(4E)-ylidenemethyl]-amino}-benzoic acid::CHEMBL132388 Holo-[acyl-carrier-protein] synthase Bacillus subtilis 4400 ChEMBL 10.1016/j.bmcl.2003.10.032 10.7270/Q2B27TPZ 14684293 Gilbert, AM; Kirisits, M; Toy, P; Nunn, DS; Failli, A; Dushin, EG; Novikova, E; Petersen, PJ; Joseph-McCarthy, D; McFadyen, I; Fritz, CC Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003251&target=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137231&enzyme=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search 44353652 104027397 CHEMBL132388 ZINC12421504 1 MIYGIGLDITELKRIASMAGRQKRFAERILTRSELDQYYELSEKRKNEFLAGRFAAKEAFSKAFGTGIGRQLSFQDIEIRKDQNGKPYIICTKLSQAAVHVSITHTKEYAAAQVVIERLSS Holo-[acyl-carrier-protein] synthase ACPS_BACSU P96618 50251501 OC(=O)c1cc(F)ccc1\N=C\c1nc(oc1O)-c1ccc(cc1)C(F)(F)F InChI=1S/C18H10F4N2O4/c19-11-5-6-13(12(7-11)16(25)26)23-8-14-17(27)28-15(24-14)9-1-3-10(4-2-9)18(20,21)22/h1-8,27H,(H,25,26)/b23-8+ IJJIBGSVTWXIMJ-LIMNOBDPSA-N 50137233 5-Fluoro-2-{[5-oxo-2-(4-trifluoromethyl-phenyl)-oxazol-(4E)-ylidenemethyl]-amino}-benzoic acid::CHEMBL130279 Holo-[acyl-carrier-protein] synthase Bacillus subtilis 1900 ChEMBL 10.1016/j.bmcl.2003.10.032 10.7270/Q2B27TPZ 14684293 Gilbert, AM; Kirisits, M; Toy, P; Nunn, DS; Failli, A; Dushin, EG; Novikova, E; Petersen, PJ; Joseph-McCarthy, D; McFadyen, I; Fritz, CC Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003251&target=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137233&enzyme=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search 44353501 104027399 CHEMBL130279 ZINC13588218 1 MIYGIGLDITELKRIASMAGRQKRFAERILTRSELDQYYELSEKRKNEFLAGRFAAKEAFSKAFGTGIGRQLSFQDIEIRKDQNGKPYIICTKLSQAAVHVSITHTKEYAAAQVVIERLSS Holo-[acyl-carrier-protein] synthase ACPS_BACSU P96618 50251502 OC(=O)c1cc(Br)c(Cl)cc1\N=C\c1nc(oc1O)-c1ccc(cc1)C(F)(F)F InChI=1S/C18H9BrClF3N2O4/c19-11-5-10(16(26)27)13(6-12(11)20)24-7-14-17(28)29-15(25-14)8-1-3-9(4-2-8)18(21,22)23/h1-7,28H,(H,26,27)/b24-7+ PECHMJMEGDLELB-HCBMXOAHSA-N 50137235 5-Bromo-4-chloro-2-{[5-oxo-2-(4-trifluoromethyl-phenyl)-oxazol-(4E)-ylidenemethyl]-amino}-benzoic acid::CHEMBL435599 Holo-[acyl-carrier-protein] synthase Bacillus subtilis 2000 ChEMBL 10.1016/j.bmcl.2003.10.032 10.7270/Q2B27TPZ 14684293 Gilbert, AM; Kirisits, M; Toy, P; Nunn, DS; Failli, A; Dushin, EG; Novikova, E; Petersen, PJ; Joseph-McCarthy, D; McFadyen, I; Fritz, CC Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003251&target=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137235&enzyme=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search 44353797 104027401 CHEMBL435599 ZINC13588216 1 MIYGIGLDITELKRIASMAGRQKRFAERILTRSELDQYYELSEKRKNEFLAGRFAAKEAFSKAFGTGIGRQLSFQDIEIRKDQNGKPYIICTKLSQAAVHVSITHTKEYAAAQVVIERLSS Holo-[acyl-carrier-protein] synthase ACPS_BACSU P96618 50251503 OC(=O)c1cc(Br)ccc1\N=C\c1nc(oc1O)-c1ccc(c(F)c1)C(F)(F)F InChI=1S/C18H9BrF4N2O4/c19-9-2-4-13(10(6-9)16(26)27)24-7-14-17(28)29-15(25-14)8-1-3-11(12(20)5-8)18(21,22)23/h1-7,28H,(H,26,27)/b24-7+ AJOKBYWNTKOOBB-HCBMXOAHSA-N 50137234 5-Bromo-2-{[2-(3-fluoro-4-trifluoromethyl-phenyl)-5-oxo-oxazol-(4E)-ylidenemethyl]-amino}-benzoic acid::CHEMBL129980 Holo-[acyl-carrier-protein] synthase Bacillus subtilis 1500 ChEMBL 10.1016/j.bmcl.2003.10.032 10.7270/Q2B27TPZ 14684293 Gilbert, AM; Kirisits, M; Toy, P; Nunn, DS; Failli, A; Dushin, EG; Novikova, E; Petersen, PJ; Joseph-McCarthy, D; McFadyen, I; Fritz, CC Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003251&target=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137234&enzyme=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search 44353496 104027400 CHEMBL129980 ZINC12421502 1 MIYGIGLDITELKRIASMAGRQKRFAERILTRSELDQYYELSEKRKNEFLAGRFAAKEAFSKAFGTGIGRQLSFQDIEIRKDQNGKPYIICTKLSQAAVHVSITHTKEYAAAQVVIERLSS Holo-[acyl-carrier-protein] synthase ACPS_BACSU P96618 50251504 Cc1ccc(\N=C\c2nc(oc2O)-c2ccc(c(F)c2)C(F)(F)F)c(c1)C(O)=O InChI=1S/C19H12F4N2O4/c1-9-2-5-14(11(6-9)17(26)27)24-8-15-18(28)29-16(25-15)10-3-4-12(13(20)7-10)19(21,22)23/h2-8,28H,1H3,(H,26,27)/b24-8+ HZWFVRXTMGFFHR-KTZMUZOWSA-N 50137238 2-{[2-(3-Fluoro-4-trifluoromethyl-phenyl)-5-oxo-oxazol-(4E)-ylidenemethyl]-amino}-5-methyl-benzoic acid::CHEMBL335756 Holo-[acyl-carrier-protein] synthase Bacillus subtilis 270 ChEMBL 10.1016/j.bmcl.2003.10.032 10.7270/Q2B27TPZ 14684293 Gilbert, AM; Kirisits, M; Toy, P; Nunn, DS; Failli, A; Dushin, EG; Novikova, E; Petersen, PJ; Joseph-McCarthy, D; McFadyen, I; Fritz, CC Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003251&target=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137238&enzyme=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search 11742170 104027404 CHEMBL335756 ZINC13588222 1 MIYGIGLDITELKRIASMAGRQKRFAERILTRSELDQYYELSEKRKNEFLAGRFAAKEAFSKAFGTGIGRQLSFQDIEIRKDQNGKPYIICTKLSQAAVHVSITHTKEYAAAQVVIERLSS Holo-[acyl-carrier-protein] synthase ACPS_BACSU P96618 50251505 CC(=O)Nc1ccc(\N=C\c2nc(oc2O)-c2ccc(c(F)c2)C(F)(F)F)c(c1)C(O)=O InChI=1S/C20H13F4N3O5/c1-9(28)26-11-3-5-15(12(7-11)18(29)30)25-8-16-19(31)32-17(27-16)10-2-4-13(14(21)6-10)20(22,23)24/h2-8,31H,1H3,(H,26,28)(H,29,30)/b25-8+ IWGBHHQXQBSNHT-ZNLRHDTNSA-N 50137236 5-Acetylamino-2-{[2-(3-fluoro-4-trifluoromethyl-phenyl)-5-oxo-oxazol-(4E)-ylidenemethyl]-amino}-benzoic acid::CHEMBL130657 Holo-[acyl-carrier-protein] synthase Bacillus subtilis 130 ChEMBL 10.1016/j.bmcl.2003.10.032 10.7270/Q2B27TPZ 14684293 Gilbert, AM; Kirisits, M; Toy, P; Nunn, DS; Failli, A; Dushin, EG; Novikova, E; Petersen, PJ; Joseph-McCarthy, D; McFadyen, I; Fritz, CC Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003251&target=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137236&enzyme=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search 44353508 104027402 CHEMBL130657 ZINC13588221 1 MIYGIGLDITELKRIASMAGRQKRFAERILTRSELDQYYELSEKRKNEFLAGRFAAKEAFSKAFGTGIGRQLSFQDIEIRKDQNGKPYIICTKLSQAAVHVSITHTKEYAAAQVVIERLSS Holo-[acyl-carrier-protein] synthase ACPS_BACSU P96618 50251506 OC(=O)c1cc(Br)ccc1\N=C\c1nc(oc1O)-c1cccc(OC(F)(F)F)c1 InChI=1S/C18H10BrF3N2O5/c19-10-4-5-13(12(7-10)16(25)26)23-8-14-17(27)28-15(24-14)9-2-1-3-11(6-9)29-18(20,21)22/h1-8,27H,(H,25,26)/b23-8+ PIPUKQBHJMUDGW-LIMNOBDPSA-N 50137237 5-Bromo-2-{[5-oxo-2-(3-trifluoromethoxy-phenyl)-oxazol-(4E)-ylidenemethyl]-amino}-benzoic acid::CHEMBL133301 Holo-[acyl-carrier-protein] synthase Bacillus subtilis 15000 ChEMBL 10.1016/j.bmcl.2003.10.032 10.7270/Q2B27TPZ 14684293 Gilbert, AM; Kirisits, M; Toy, P; Nunn, DS; Failli, A; Dushin, EG; Novikova, E; Petersen, PJ; Joseph-McCarthy, D; McFadyen, I; Fritz, CC Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003251&target=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137237&enzyme=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search 44353634 104027403 CHEMBL133301 ZINC13588223 1 MIYGIGLDITELKRIASMAGRQKRFAERILTRSELDQYYELSEKRKNEFLAGRFAAKEAFSKAFGTGIGRQLSFQDIEIRKDQNGKPYIICTKLSQAAVHVSITHTKEYAAAQVVIERLSS Holo-[acyl-carrier-protein] synthase ACPS_BACSU P96618 50251507 OC(=O)c1ccccc1\N=C\c1nc(oc1O)-c1ccc(Cl)cc1 InChI=1S/C17H11ClN2O4/c18-11-7-5-10(6-8-11)15-20-14(17(23)24-15)9-19-13-4-2-1-3-12(13)16(21)22/h1-9,23H,(H,21,22)/b19-9+ RYZJTWAANYBMDJ-DJKKODMXSA-N 50137240 2-{[2-(4-Chloro-phenyl)-5-oxo-oxazol-(4E)-ylidenemethyl]-amino}-benzoic acid::CHEMBL132893 Holo-[acyl-carrier-protein] synthase Bacillus subtilis 15000 ChEMBL 10.1016/j.bmcl.2003.10.032 10.7270/Q2B27TPZ 14684293 Gilbert, AM; Kirisits, M; Toy, P; Nunn, DS; Failli, A; Dushin, EG; Novikova, E; Petersen, PJ; Joseph-McCarthy, D; McFadyen, I; Fritz, CC Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003251&target=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137240&enzyme=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search 6273804 104027406 CHEMBL132893 ZINC27332097 1 MIYGIGLDITELKRIASMAGRQKRFAERILTRSELDQYYELSEKRKNEFLAGRFAAKEAFSKAFGTGIGRQLSFQDIEIRKDQNGKPYIICTKLSQAAVHVSITHTKEYAAAQVVIERLSS Holo-[acyl-carrier-protein] synthase ACPS_BACSU P96618 50251508 OC(=O)c1cc(F)ccc1\N=C\c1nc(oc1O)-c1ccc(Cl)cc1 InChI=1S/C17H10ClFN2O4/c18-10-3-1-9(2-4-10)15-21-14(17(24)25-15)8-20-13-6-5-11(19)7-12(13)16(22)23/h1-8,24H,(H,22,23)/b20-8+ ZQJPDGGFDPIMNE-DNTJNYDQSA-N 50137239 2-{[2-(4-Chloro-phenyl)-5-oxo-oxazol-(4E)-ylidenemethyl]-amino}-5-fluoro-benzoic acid::CHEMBL339848 Holo-[acyl-carrier-protein] synthase Bacillus subtilis 2100 ChEMBL 10.1016/j.bmcl.2003.10.032 10.7270/Q2B27TPZ 14684293 Gilbert, AM; Kirisits, M; Toy, P; Nunn, DS; Failli, A; Dushin, EG; Novikova, E; Petersen, PJ; Joseph-McCarthy, D; McFadyen, I; Fritz, CC Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003251&target=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137239&enzyme=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search 44353795 104027405 CHEMBL339848 ZINC13588212 1 MIYGIGLDITELKRIASMAGRQKRFAERILTRSELDQYYELSEKRKNEFLAGRFAAKEAFSKAFGTGIGRQLSFQDIEIRKDQNGKPYIICTKLSQAAVHVSITHTKEYAAAQVVIERLSS Holo-[acyl-carrier-protein] synthase ACPS_BACSU P96618 50251509 OC(=O)c1cc(Br)c(Cl)cc1\N=C\c1nc(oc1O)-c1ccc(Cl)cc1 InChI=1S/C17H9BrCl2N2O4/c18-11-5-10(16(23)24)13(6-12(11)20)21-7-14-17(25)26-15(22-14)8-1-3-9(19)4-2-8/h1-7,25H,(H,23,24)/b21-7+ KCWCZJMIWLELJW-QPSGOUHRSA-N 50137241 5-Bromo-4-chloro-2-{[2-(4-chloro-phenyl)-5-oxo-oxazol-(4E)-ylidenemethyl]-amino}-benzoic acid::CHEMBL131492 Holo-[acyl-carrier-protein] synthase Bacillus subtilis >20000 ChEMBL 10.1016/j.bmcl.2003.10.032 10.7270/Q2B27TPZ 14684293 Gilbert, AM; Kirisits, M; Toy, P; Nunn, DS; Failli, A; Dushin, EG; Novikova, E; Petersen, PJ; Joseph-McCarthy, D; McFadyen, I; Fritz, CC Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003251&target=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137241&enzyme=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search 44353716 104027407 CHEMBL131492 ZINC13588215 1 MIYGIGLDITELKRIASMAGRQKRFAERILTRSELDQYYELSEKRKNEFLAGRFAAKEAFSKAFGTGIGRQLSFQDIEIRKDQNGKPYIICTKLSQAAVHVSITHTKEYAAAQVVIERLSS Holo-[acyl-carrier-protein] synthase ACPS_BACSU P96618 50251510 Cc1ccc(\N=C\c2nc(oc2O)-c2ccc(cc2)C(F)(F)F)c(c1)C(O)=O InChI=1S/C19H13F3N2O4/c1-10-2-7-14(13(8-10)17(25)26)23-9-15-18(27)28-16(24-15)11-3-5-12(6-4-11)19(20,21)22/h2-9,27H,1H3,(H,25,26)/b23-9+ JMPPTGUZUZEAGZ-NUGSKGIGSA-N 50137242 5-Methyl-2-{[5-oxo-2-(4-trifluoromethyl-phenyl)-oxazol-(4E)-ylidenemethyl]-amino}-benzoic acid::CHEMBL130683 Holo-[acyl-carrier-protein] synthase Bacillus subtilis 830.0 ChEMBL 10.1016/j.bmcl.2003.10.032 10.7270/Q2B27TPZ 14684293 Gilbert, AM; Kirisits, M; Toy, P; Nunn, DS; Failli, A; Dushin, EG; Novikova, E; Petersen, PJ; Joseph-McCarthy, D; McFadyen, I; Fritz, CC Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003251&target=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137242&enzyme=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search 44353512 104027408 CHEMBL130683 ZINC13588219 1 MIYGIGLDITELKRIASMAGRQKRFAERILTRSELDQYYELSEKRKNEFLAGRFAAKEAFSKAFGTGIGRQLSFQDIEIRKDQNGKPYIICTKLSQAAVHVSITHTKEYAAAQVVIERLSS Holo-[acyl-carrier-protein] synthase ACPS_BACSU P96618 50251511 OC(=O)c1ccccc1\N=C\c1nc(oc1O)-c1ccccc1 InChI=1S/C17H12N2O4/c20-16(21)12-8-4-5-9-13(12)18-10-14-17(22)23-15(19-14)11-6-2-1-3-7-11/h1-10,22H,(H,20,21)/b18-10+ AOBQQJAMVLTYKO-VCHYOVAHSA-N 50137243 2-{[5-Oxo-2-phenyl-oxazol-(4E)-ylidenemethyl]-amino}-benzoic acid::CHEMBL134062 Holo-[acyl-carrier-protein] synthase Bacillus subtilis >20000 ChEMBL 10.1016/j.bmcl.2003.10.032 10.7270/Q2B27TPZ 14684293 Gilbert, AM; Kirisits, M; Toy, P; Nunn, DS; Failli, A; Dushin, EG; Novikova, E; Petersen, PJ; Joseph-McCarthy, D; McFadyen, I; Fritz, CC Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003251&target=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137243&enzyme=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search 44353784 104027409 CHEMBL134062 ZINC13588211 1 MIYGIGLDITELKRIASMAGRQKRFAERILTRSELDQYYELSEKRKNEFLAGRFAAKEAFSKAFGTGIGRQLSFQDIEIRKDQNGKPYIICTKLSQAAVHVSITHTKEYAAAQVVIERLSS Holo-[acyl-carrier-protein] synthase ACPS_BACSU P96618 50330679 NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19) ZZUFCTLCJUWOSV-UHFFFAOYSA-N 25902 4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoic acid::CHEMBL35::Frusemide::Furanthril::Furosemide::Furosemide (3)::Furosemide, 4::Lasix::US10172837, Furosemide Holo-[acyl-carrier-protein] synthase Bacillus subtilis 12700 ChEMBL 10.1021/jm050523n 10.7270/Q2W66KBJ 16335920 Joseph-McCarthy, D; Parris, K; Huang, A; Failli, A; Quagliato, D; Dushin, EG; Novikova, E; Severina, E; Tuckman, M; Petersen, PJ; Dean, C; Fritz, CC; Meshulam, T; DeCenzo, M; Dick, L; McFadyen, IJ; Somers, WS; Lovering, F; Gilbert, AM Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003251&target=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25902&enzyme=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search FUN 7N3N,1Z9Y,6SG0,2XN5,8STE,7SFL,3RF4,6DE9 3440 56413190 47426 CHEMBL35 DB00695 4839 C07017 ZINC00035804 1 MIYGIGLDITELKRIASMAGRQKRFAERILTRSELDQYYELSEKRKNEFLAGRFAAKEAFSKAFGTGIGRQLSFQDIEIRKDQNGKPYIICTKLSQAAVHVSITHTKEYAAAQVVIERLSS Holo-[acyl-carrier-protein] synthase ACPS_BACSU P96618 50330680 OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc2C(=O)c3ccccc3-c12 InChI=1S/C21H12ClNO4/c22-11-8-9-17(16(10-11)21(26)27)23-20(25)15-7-3-6-14-18(15)12-4-1-2-5-13(12)19(14)24/h1-10H,(H,23,25)(H,26,27) YRIPLNTYNKZTIC-UHFFFAOYSA-N 50178647 5-chloro-2-{[(9-oxo-9H-fluoren-4-yl)carbonyl]amino}-benzoic acid::CHEMBL371442 Holo-[acyl-carrier-protein] synthase Bacillus subtilis 820 ChEMBL 10.1021/jm050523n 10.7270/Q2W66KBJ 16335920 Joseph-McCarthy, D; Parris, K; Huang, A; Failli, A; Quagliato, D; Dushin, EG; Novikova, E; Severina, E; Tuckman, M; Petersen, PJ; Dean, C; Fritz, CC; Meshulam, T; DeCenzo, M; Dick, L; McFadyen, IJ; Somers, WS; Lovering, F; Gilbert, AM Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50178647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003251&target=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50178647&enzyme=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search 11603268 104063951 CHEMBL371442 ZINC13677462 1 MIYGIGLDITELKRIASMAGRQKRFAERILTRSELDQYYELSEKRKNEFLAGRFAAKEAFSKAFGTGIGRQLSFQDIEIRKDQNGKPYIICTKLSQAAVHVSITHTKEYAAAQVVIERLSS Holo-[acyl-carrier-protein] synthase ACPS_BACSU P96618 50330681 CC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(O)=O InChI=1S/C17H16ClNO3/c1-11(9-12-5-3-2-4-6-12)16(20)19-15-8-7-13(18)10-14(15)17(21)22/h2-8,10-11H,9H2,1H3,(H,19,20)(H,21,22) NMVOUGNPVVJWHF-UHFFFAOYSA-N 50178646 5-chloro-2-[(2-methyl-3-phenylpropanoyl)amino]benzoic acid::CHEMBL373194::US11225469, Compound 20 Holo-[acyl-carrier-protein] synthase Bacillus subtilis 2800 ChEMBL 10.1021/jm050523n 10.7270/Q2W66KBJ 16335920 Joseph-McCarthy, D; Parris, K; Huang, A; Failli, A; Quagliato, D; Dushin, EG; Novikova, E; Severina, E; Tuckman, M; Petersen, PJ; Dean, C; Fritz, CC; Meshulam, T; DeCenzo, M; Dick, L; McFadyen, IJ; Somers, WS; Lovering, F; Gilbert, AM Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50178646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003251&target=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50178646&enzyme=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search 11573282 104063950 CHEMBL373194 ZINC13677456 1 MIYGIGLDITELKRIASMAGRQKRFAERILTRSELDQYYELSEKRKNEFLAGRFAAKEAFSKAFGTGIGRQLSFQDIEIRKDQNGKPYIICTKLSQAAVHVSITHTKEYAAAQVVIERLSS Holo-[acyl-carrier-protein] synthase ACPS_BACSU P96618 50330682 C\C(=C/c1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1C(O)=O InChI=1S/C17H13Cl2NO3/c1-10(8-11-2-4-12(18)5-3-11)16(21)20-15-9-13(19)6-7-14(15)17(22)23/h2-9H,1H3,(H,20,21)(H,22,23)/b10-8+ REJKALRSHUBPIT-CSKARUKUSA-N 50178648 4-chloro-2-{[(2E)-3-(4-chlorophenyl)-2-methylprop-2-enoyl]amino}benzoic acid::CHEMBL197241 Holo-[acyl-carrier-protein] synthase Bacillus subtilis 32300 ChEMBL 10.1021/jm050523n 10.7270/Q2W66KBJ 16335920 Joseph-McCarthy, D; Parris, K; Huang, A; Failli, A; Quagliato, D; Dushin, EG; Novikova, E; Severina, E; Tuckman, M; Petersen, PJ; Dean, C; Fritz, CC; Meshulam, T; DeCenzo, M; Dick, L; McFadyen, IJ; Somers, WS; Lovering, F; Gilbert, AM Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50178648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003251&target=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50178648&enzyme=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search 11508548 104063952 CHEMBL197241 ZINC13677452 1 MIYGIGLDITELKRIASMAGRQKRFAERILTRSELDQYYELSEKRKNEFLAGRFAAKEAFSKAFGTGIGRQLSFQDIEIRKDQNGKPYIICTKLSQAAVHVSITHTKEYAAAQVVIERLSS Holo-[acyl-carrier-protein] synthase ACPS_BACSU P96618 50330683 CSC(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C(O)=O InChI=1S/C17H15Cl2NO3S/c1-24-15(8-10-2-4-11(18)5-3-10)16(21)20-14-7-6-12(19)9-13(14)17(22)23/h2-7,9,15H,8H2,1H3,(H,20,21)(H,22,23) GWLCCOWVBUEMSV-UHFFFAOYSA-N 50178649 5-chloro-2-[3-(4-chlorophenyl)-2-methylsulfanyl-propionylamino]benzoic acid::CHEMBL383810::US11225469, Compound 19 Holo-[acyl-carrier-protein] synthase Bacillus subtilis 1400 ChEMBL 10.1021/jm050523n 10.7270/Q2W66KBJ 16335920 Joseph-McCarthy, D; Parris, K; Huang, A; Failli, A; Quagliato, D; Dushin, EG; Novikova, E; Severina, E; Tuckman, M; Petersen, PJ; Dean, C; Fritz, CC; Meshulam, T; DeCenzo, M; Dick, L; McFadyen, IJ; Somers, WS; Lovering, F; Gilbert, AM Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50178649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003251&target=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50178649&enzyme=Holo-%5Bacyl-carrier-protein%5D+synthase&column=ki&startPg=0&Increment=50&submit=Search 11617907 104063953 CHEMBL383810 ZINC13677460 1 MIYGIGLDITELKRIASMAGRQKRFAERILTRSELDQYYELSEKRKNEFLAGRFAAKEAFSKAFGTGIGRQLSFQDIEIRKDQNGKPYIICTKLSQAAVHVSITHTKEYAAAQVVIERLSS Holo-[acyl-carrier-protein] synthase ACPS_BACSU P96618