Compile Data Set for Download or QSAR

Found 69 hits Enz. Inhib. hit(s) with all data for entry = 50038170   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Collagenase 3 (Homo sapiens (Human))	BDBM50372652 (CHEMBL410029) Show SMILES COc1ccc(CC#Cc2ccc3ncn(Cc4ccc(cc4)C(O)=O)c(=O)c3c2)cc1 Show InChI InChI=1S/C26H20N2O4/c1-32-22-12-7-18(8-13-22)3-2-4-19-9-14-24-23(15-19)25(29)28(17-27-24)16-20-5-10-21(11-6-20)26(30)31/h5-15,17H,3,16H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372652 (CHEMBL410029) Show SMILES COc1ccc(CC#Cc2ccc3ncn(Cc4ccc(cc4)C(O)=O)c(=O)c3c2)cc1 Show InChI InChI=1S/C26H20N2O4/c1-32-22-12-7-18(8-13-22)3-2-4-19-9-14-24-23(15-19)25(29)28(17-27-24)16-20-5-10-21(11-6-20)26(30)31/h5-15,17H,3,16H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372636 (CHEMBL429584) Show SMILES O=c1n(Cc2ccc(cc2)-c2nnn[nH]2)cnc2ccc(cc12)C#CCc1ccccc1 Show InChI InChI=1S/C25H18N6O/c32-25-22-15-19(8-4-7-18-5-2-1-3-6-18)11-14-23(22)26-17-31(25)16-20-9-12-21(13-10-20)24-27-29-30-28-24/h1-3,5-6,9-15,17H,7,16H2,(H,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372657 (CHEMBL273054) Show SMILES OC(=O)c1ccc(Cn2cnc3ccc(cc3c2=O)C#CCc2ccccc2)cc1 Show InChI InChI=1S/C25H18N2O3/c28-24-22-15-19(8-4-7-18-5-2-1-3-6-18)11-14-23(22)26-17-27(24)16-20-9-12-21(13-10-20)25(29)30/h1-3,5-6,9-15,17H,7,16H2,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372633 (CHEMBL270502) Show SMILES COc1ccc(CNC(=O)c2ccc3ncn(Cc4ccc(cc4)C(O)=O)c(=O)c3c2)cc1 Show InChI InChI=1S/C25H21N3O5/c1-33-20-9-4-16(5-10-20)13-26-23(29)19-8-11-22-21(12-19)24(30)28(15-27-22)14-17-2-6-18(7-3-17)25(31)32/h2-12,15H,13-14H2,1H3,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372647 (CHEMBL272007) Show SMILES OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C23H17ClN4O4/c24-17-3-1-2-15(8-17)10-26-21(29)19-9-18-20(11-25-19)27-13-28(22(18)30)12-14-4-6-16(7-5-14)23(31)32/h1-9,11,13H,10,12H2,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.69	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372632 (CHEMBL273113) Show SMILES COc1cc(CNC(=O)c2cc3c(cn2)ncn(Cc2ccc(cc2)C(O)=O)c3=O)ccn1 Show InChI InChI=1S/C23H19N5O5/c1-33-20-8-15(6-7-24-20)10-26-21(29)18-9-17-19(11-25-18)27-13-28(22(17)30)12-14-2-4-16(5-3-14)23(31)32/h2-9,11,13H,10,12H2,1H3,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.46	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372639 (CHEMBL271997) Show SMILES OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C23H17FN4O4/c24-17-7-3-14(4-8-17)10-26-21(29)19-9-18-20(11-25-19)27-13-28(22(18)30)12-15-1-5-16(6-2-15)23(31)32/h1-9,11,13H,10,12H2,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.24	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372635 (CHEMBL272245) Show SMILES Oc1c(F)cc(Cn2cnc3ccc(cc3c2=O)C#CCc2ccccc2)cc1F Show InChI InChI=1S/C24H16F2N2O2/c25-20-12-18(13-21(26)23(20)29)14-28-15-27-22-10-9-17(11-19(22)24(28)30)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,9-13,15,29H,7,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372636 (CHEMBL429584) Show SMILES O=c1n(Cc2ccc(cc2)-c2nnn[nH]2)cnc2ccc(cc12)C#CCc1ccccc1 Show InChI InChI=1S/C25H18N6O/c32-25-22-15-19(8-4-7-18-5-2-1-3-6-18)11-14-23(22)26-17-31(25)16-20-9-12-21(13-10-20)24-27-29-30-28-24/h1-3,5-6,9-15,17H,7,16H2,(H,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50234348 (4-((6-(4-methoxybenzylcarbamoyl)-4-oxopyrido[3,4-d...) Show SMILES COc1ccc(CNC(=O)c2cc3c(cn2)ncn(Cc2ccc(cc2)C(O)=O)c3=O)cc1 Show InChI InChI=1S/C24H20N4O5/c1-33-18-8-4-15(5-9-18)11-26-22(29)20-10-19-21(12-25-20)27-14-28(23(19)30)13-16-2-6-17(7-3-16)24(31)32/h2-10,12,14H,11,13H2,1H3,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.72	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372649 (CHEMBL408646) Show SMILES OC(=O)c1ccc(Cn2cnc3ccc(cc3c2=O)C#CCn2ccnc2)cc1 Show InChI InChI=1S/C22H16N4O3/c27-21-19-12-16(2-1-10-25-11-9-23-14-25)5-8-20(19)24-15-26(21)13-17-3-6-18(7-4-17)22(28)29/h3-9,11-12,14-15H,10,13H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.82	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372657 (CHEMBL273054) Show SMILES OC(=O)c1ccc(Cn2cnc3ccc(cc3c2=O)C#CCc2ccccc2)cc1 Show InChI InChI=1S/C25H18N2O3/c28-24-22-15-19(8-4-7-18-5-2-1-3-6-18)11-14-23(22)26-17-27(24)16-20-9-12-21(13-10-20)25(29)30/h1-3,5-6,9-15,17H,7,16H2,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372641 (CHEMBL409111) Show SMILES OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C23H17ClN4O4/c24-17-7-3-14(4-8-17)10-26-21(29)19-9-18-20(11-25-19)27-13-28(22(18)30)12-15-1-5-16(6-2-15)23(31)32/h1-9,11,13H,10,12H2,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.95	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372633 (CHEMBL270502) Show SMILES COc1ccc(CNC(=O)c2ccc3ncn(Cc4ccc(cc4)C(O)=O)c(=O)c3c2)cc1 Show InChI InChI=1S/C25H21N3O5/c1-33-20-9-4-16(5-10-20)13-26-23(29)19-8-11-22-21(12-19)24(30)28(15-27-22)14-17-2-6-18(7-3-17)25(31)32/h2-12,15H,13-14H2,1H3,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372640 (CHEMBL429596) Show SMILES CSc1ccc(CNC(=O)c2cc3c(cn2)ncn(Cc2ccc(cc2)C(O)=O)c3=O)cc1 Show InChI InChI=1S/C24H20N4O4S/c1-33-18-8-4-15(5-9-18)11-26-22(29)20-10-19-21(12-25-20)27-14-28(23(19)30)13-16-2-6-17(7-3-16)24(31)32/h2-10,12,14H,11,13H2,1H3,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372629 (CHEMBL272246) Show SMILES NC(=O)c1ccc(Cn2cnc3ccc(cc3c2=O)C#CCc2ccccc2)cc1 Show InChI InChI=1S/C25H19N3O2/c26-24(29)21-12-9-20(10-13-21)16-28-17-27-23-14-11-19(15-22(23)25(28)30)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-15,17H,7,16H2,(H2,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372643 (CHEMBL429247) Show SMILES COc1cccc(CNC(=O)c2cc3c(cn2)ncn(Cc2ccc(cc2)C(O)=O)c3=O)c1 Show InChI InChI=1S/C24H20N4O5/c1-33-18-4-2-3-16(9-18)11-26-22(29)20-10-19-21(12-25-20)27-14-28(23(19)30)13-15-5-7-17(8-6-15)24(31)32/h2-10,12,14H,11,13H2,1H3,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372656 (CHEMBL271148) Show SMILES NS(=O)(=O)c1ccc(Cn2cnc3ccc(cc3c2=O)C#CCc2ccccc2)cc1 Show InChI InChI=1S/C24H19N3O3S/c25-31(29,30)21-12-9-20(10-13-21)16-27-17-26-23-14-11-19(15-22(23)24(27)28)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-15,17H,7,16H2,(H2,25,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.9	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372646 (CHEMBL272008) Show SMILES OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2cccc(F)c2)cc1 Show InChI InChI=1S/C23H17FN4O4/c24-17-3-1-2-15(8-17)10-26-21(29)19-9-18-20(11-25-19)27-13-28(22(18)30)12-14-4-6-16(7-5-14)23(31)32/h1-9,11,13H,10,12H2,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16.4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372635 (CHEMBL272245) Show SMILES Oc1c(F)cc(Cn2cnc3ccc(cc3c2=O)C#CCc2ccccc2)cc1F Show InChI InChI=1S/C24H16F2N2O2/c25-20-12-18(13-21(26)23(20)29)14-28-15-27-22-10-9-17(11-19(22)24(28)30)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,9-13,15,29H,7,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372632 (CHEMBL273113) Show SMILES COc1cc(CNC(=O)c2cc3c(cn2)ncn(Cc2ccc(cc2)C(O)=O)c3=O)ccn1 Show InChI InChI=1S/C23H19N5O5/c1-33-20-8-15(6-7-24-20)10-26-21(29)18-9-17-19(11-25-18)27-13-28(22(17)30)12-14-2-4-16(5-3-14)23(31)32/h2-9,11,13H,10,12H2,1H3,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372631 (CHEMBL406919) Show SMILES OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2ccccc2)cc1 Show InChI InChI=1S/C23H18N4O4/c28-21(25-11-15-4-2-1-3-5-15)19-10-18-20(12-24-19)26-14-27(22(18)29)13-16-6-8-17(9-7-16)23(30)31/h1-10,12,14H,11,13H2,(H,25,28)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372647 (CHEMBL272007) Show SMILES OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C23H17ClN4O4/c24-17-3-1-2-15(8-17)10-26-21(29)19-9-18-20(11-25-19)27-13-28(22(18)30)12-14-4-6-16(7-5-14)23(31)32/h1-9,11,13H,10,12H2,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21.2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50234334 (BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIA...) Show SMILES O=C(OCc1ccccc1)c1cn2c(cc(=O)n(Cc3ccccc3)c2=O)s1 Show InChI InChI=1S/C21H16N2O4S/c24-18-11-19-23(21(26)22(18)12-15-7-3-1-4-8-15)13-17(28-19)20(25)27-14-16-9-5-2-6-10-16/h1-11,13H,12,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50372630 (CHEMBL271535) Show SMILES OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C24H17F3N4O4/c25-24(26,27)17-3-1-2-15(8-17)10-29-21(32)19-9-18-20(11-28-19)30-13-31(22(18)33)12-14-4-6-16(7-5-14)23(34)35/h1-9,11,13H,10,12H2,(H,29,32)(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25.3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372641 (CHEMBL409111) Show SMILES OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C23H17ClN4O4/c24-17-7-3-14(4-8-17)10-26-21(29)19-9-18-20(11-25-19)27-13-28(22(18)30)12-15-1-5-16(6-2-15)23(31)32/h1-9,11,13H,10,12H2,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50234348 (4-((6-(4-methoxybenzylcarbamoyl)-4-oxopyrido[3,4-d...) Show SMILES COc1ccc(CNC(=O)c2cc3c(cn2)ncn(Cc2ccc(cc2)C(O)=O)c3=O)cc1 Show InChI InChI=1S/C24H20N4O5/c1-33-18-8-4-15(5-9-18)11-26-22(29)20-10-19-21(12-25-20)27-14-28(23(19)30)13-16-2-6-17(7-3-16)24(31)32/h2-10,12,14H,11,13H2,1H3,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372637 (CHEMBL272261) Show SMILES COc1cccc(CNC(=O)c2cc3c(cc2F)ncn(Cc2ccc(cc2)C(O)=O)c3=O)c1 Show InChI InChI=1S/C25H20FN3O5/c1-34-18-4-2-3-16(9-18)12-27-23(30)19-10-20-22(11-21(19)26)28-14-29(24(20)31)13-15-5-7-17(8-6-15)25(32)33/h2-11,14H,12-13H2,1H3,(H,27,30)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31.1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372655 (CHEMBL407090) Show SMILES O=c1n(Cc2ccc(cc2)C#N)cnc2ccc(cc12)C#CCc1ccccc1 Show InChI InChI=1S/C25H17N3O/c26-16-21-9-11-22(12-10-21)17-28-18-27-24-14-13-20(15-23(24)25(28)29)8-4-7-19-5-2-1-3-6-19/h1-3,5-6,9-15,18H,7,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36.3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372639 (CHEMBL271997) Show SMILES OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C23H17FN4O4/c24-17-7-3-14(4-8-17)10-26-21(29)19-9-18-20(11-25-19)27-13-28(22(18)30)12-15-1-5-16(6-2-15)23(31)32/h1-9,11,13H,10,12H2,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372646 (CHEMBL272008) Show SMILES OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2cccc(F)c2)cc1 Show InChI InChI=1S/C23H17FN4O4/c24-17-3-1-2-15(8-17)10-26-21(29)19-9-18-20(11-25-19)27-13-28(22(18)30)12-14-4-6-16(7-5-14)23(31)32/h1-9,11,13H,10,12H2,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372640 (CHEMBL429596) Show SMILES CSc1ccc(CNC(=O)c2cc3c(cn2)ncn(Cc2ccc(cc2)C(O)=O)c3=O)cc1 Show InChI InChI=1S/C24H20N4O4S/c1-33-18-8-4-15(5-9-18)11-26-22(29)20-10-19-21(12-25-20)27-14-28(23(19)30)13-16-2-6-17(7-3-16)24(31)32/h2-10,12,14H,11,13H2,1H3,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372642 (CHEMBL429250) Show SMILES OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2ccncc2)cc1 Show InChI InChI=1S/C22H17N5O4/c28-20(25-10-14-5-7-23-8-6-14)18-9-17-19(11-24-18)26-13-27(21(17)29)12-15-1-3-16(4-2-15)22(30)31/h1-9,11,13H,10,12H2,(H,25,28)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49.4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372649 (CHEMBL408646) Show SMILES OC(=O)c1ccc(Cn2cnc3ccc(cc3c2=O)C#CCn2ccnc2)cc1 Show InChI InChI=1S/C22H16N4O3/c27-21-19-12-16(2-1-10-25-11-9-23-14-25)5-8-20(19)24-15-26(21)13-17-3-6-18(7-4-17)22(28)29/h3-9,11-12,14-15H,10,13H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372628 (CHEMBL406831) Show SMILES Clc1cccc(Cn2cnc3ccc(cc3c2=O)C#CCc2ccccc2)c1 Show InChI InChI=1S/C24H17ClN2O/c25-21-11-5-10-20(14-21)16-27-17-26-23-13-12-19(15-22(23)24(27)28)9-4-8-18-6-2-1-3-7-18/h1-3,5-7,10-15,17H,8,16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61.2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372654 (CHEMBL272866) Show SMILES COC(=O)c1ccc(Cn2cnc3ccc(cc3c2=O)C#CCc2ccccc2)cc1 Show InChI InChI=1S/C26H20N2O3/c1-31-26(30)22-13-10-21(11-14-22)17-28-18-27-24-15-12-20(16-23(24)25(28)29)9-5-8-19-6-3-2-4-7-19/h2-4,6-7,10-16,18H,8,17H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63.2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372656 (CHEMBL271148) Show SMILES NS(=O)(=O)c1ccc(Cn2cnc3ccc(cc3c2=O)C#CCc2ccccc2)cc1 Show InChI InChI=1S/C24H19N3O3S/c25-31(29,30)21-12-9-20(10-13-21)16-27-17-26-23-14-11-19(15-22(23)24(27)28)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-15,17H,7,16H2,(H2,25,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372638 (CHEMBL410322) Show SMILES OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C24H17F3N4O4/c25-24(26,27)17-7-3-14(4-8-17)10-29-21(32)19-9-18-20(11-28-19)30-13-31(22(18)33)12-15-1-5-16(6-2-15)23(34)35/h1-9,11,13H,10,12H2,(H,29,32)(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95.6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372643 (CHEMBL429247) Show SMILES COc1cccc(CNC(=O)c2cc3c(cn2)ncn(Cc2ccc(cc2)C(O)=O)c3=O)c1 Show InChI InChI=1S/C24H20N4O5/c1-33-18-4-2-3-16(9-18)11-26-22(29)20-10-19-21(12-25-20)27-14-28(23(19)30)13-15-5-7-17(8-6-15)24(31)32/h2-10,12,14H,11,13H2,1H3,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372631 (CHEMBL406919) Show SMILES OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2ccccc2)cc1 Show InChI InChI=1S/C23H18N4O4/c28-21(25-11-15-4-2-1-3-5-15)19-10-18-20(12-24-19)26-14-27(22(18)29)13-16-6-8-17(9-7-16)23(30)31/h1-10,12,14H,11,13H2,(H,25,28)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372655 (CHEMBL407090) Show SMILES O=c1n(Cc2ccc(cc2)C#N)cnc2ccc(cc12)C#CCc1ccccc1 Show InChI InChI=1S/C25H17N3O/c26-16-21-9-11-22(12-10-21)17-28-18-27-24-14-13-20(15-23(24)25(28)29)8-4-7-19-5-2-1-3-6-19/h1-3,5-6,9-15,18H,7,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372653 (CHEMBL406160) Show SMILES Fc1ccc(Cn2cnc3ccc(cc3c2=O)C#CCc2ccccc2)cc1 Show InChI InChI=1S/C24H17FN2O/c25-21-12-9-20(10-13-21)16-27-17-26-23-14-11-19(15-22(23)24(27)28)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-15,17H,7,16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372629 (CHEMBL272246) Show SMILES NC(=O)c1ccc(Cn2cnc3ccc(cc3c2=O)C#CCc2ccccc2)cc1 Show InChI InChI=1S/C25H19N3O2/c26-24(29)21-12-9-20(10-13-21)16-28-17-27-23-14-11-19(15-22(23)25(28)30)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-15,17H,7,16H2,(H2,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372642 (CHEMBL429250) Show SMILES OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2ccncc2)cc1 Show InChI InChI=1S/C22H17N5O4/c28-20(25-10-14-5-7-23-8-6-14)18-9-17-19(11-24-18)26-13-27(21(17)29)12-15-1-3-16(4-2-15)22(30)31/h1-9,11,13H,10,12H2,(H,25,28)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	184	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372630 (CHEMBL271535) Show SMILES OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C24H17F3N4O4/c25-24(26,27)17-3-1-2-15(8-17)10-29-21(32)19-9-18-20(11-28-19)30-13-31(22(18)33)12-14-4-6-16(7-5-14)23(34)35/h1-9,11,13H,10,12H2,(H,29,32)(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	184	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372651 (CHEMBL272188) Show SMILES OC(=O)c1ccc(Cn2cnc3ccc(C=C=Cc4ccccc4)cc3c2=O)cc1 |(38.23,-50.46,;36.9,-51.23,;36.89,-52.77,;35.56,-50.46,;34.23,-51.22,;32.9,-50.45,;32.91,-48.91,;31.57,-48.14,;30.24,-48.91,;30.24,-50.46,;28.89,-51.23,;27.55,-50.46,;26.21,-51.23,;24.88,-50.46,;24.88,-48.91,;23.55,-48.14,;22.21,-47.37,;20.87,-46.6,;19.54,-47.37,;18.21,-46.59,;16.88,-47.36,;16.88,-48.91,;18.22,-49.67,;19.55,-48.9,;26.21,-48.14,;27.55,-48.9,;28.89,-48.12,;28.89,-46.58,;34.23,-48.14,;35.56,-48.91,)| Show InChI InChI=1S/C25H18N2O3/c28-24-22-15-19(8-4-7-18-5-2-1-3-6-18)11-14-23(22)26-17-27(24)16-20-9-12-21(13-10-20)25(29)30/h1-3,5-15,17H,16H2,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	194	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372645 (CHEMBL270481) Show SMILES COc1cccc(CNC(=O)c2ccc3ncn(Cc4ccc(F)cc4)c(=O)c3c2)c1 Show InChI InChI=1S/C24H20FN3O3/c1-31-20-4-2-3-17(11-20)13-26-23(29)18-7-10-22-21(12-18)24(30)28(15-27-22)14-16-5-8-19(25)9-6-16/h2-12,15H,13-14H2,1H3,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	237	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372654 (CHEMBL272866) Show SMILES COC(=O)c1ccc(Cn2cnc3ccc(cc3c2=O)C#CCc2ccccc2)cc1 Show InChI InChI=1S/C26H20N2O3/c1-31-26(30)22-13-10-21(11-14-22)17-28-18-27-24-15-12-20(16-23(24)25(28)29)9-5-8-19-6-3-2-4-7-19/h2-4,6-7,10-16,18H,8,17H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	244	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372648 (CHEMBL270480) Show SMILES COc1ccc(CNC(=O)c2ccc3ncn(Cc4ccc(OC)cc4)c(=O)c3c2)cc1 Show InChI InChI=1S/C25H23N3O4/c1-31-20-8-3-17(4-9-20)14-26-24(29)19-7-12-23-22(13-19)25(30)28(16-27-23)15-18-5-10-21(32-2)11-6-18/h3-13,16H,14-15H2,1-2H3,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	365	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair

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