Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 8 entry = 50013176   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50127475 (2-(7-Benzyloxy-1,1-dioxo-1,3,4,5-tetrahydro-1lambd...) Show SMILES C[C@@H](N1CCNc2cc(OCc3ccccc3)ccc2S1(=O)=O)C(=O)NO Show InChI InChI=1S/C18H21N3O5S/c1-13(18(22)20-23)21-10-9-19-16-11-15(7-8-17(16)27(21,24)25)26-12-14-5-3-2-4-6-14/h2-8,11,13,19,23H,9-10,12H2,1H3,(H,20,22)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	<2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)				J Med Chem 46: 1811-23 (2003) Article DOI: 10.1021/jm020475w BindingDB Entry DOI: 10.7270/Q2TQ60W7
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50127481 (2-(7-Benzyloxy-1,1-dioxo-1,3,4,5-tetrahydro-1lambd...) Show SMILES CC(C)C[C@@H](N1CCNc2cc(OCc3ccccc3)ccc2S1(=O)=O)C(=O)NO Show InChI InChI=1S/C21H27N3O5S/c1-15(2)12-19(21(25)23-26)24-11-10-22-18-13-17(8-9-20(18)30(24,27)28)29-14-16-6-4-3-5-7-16/h3-9,13,15,19,22,26H,10-12,14H2,1-2H3,(H,23,25)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)				J Med Chem 46: 1811-23 (2003) Article DOI: 10.1021/jm020475w BindingDB Entry DOI: 10.7270/Q2TQ60W7
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50127465 (2-[1,1-Dioxo-7-(4-trifluoromethyl-phenoxy)-1,3,4,5...) Show SMILES C[C@@H](N1CCNc2cc(Oc3ccc(cc3)C(F)(F)F)ccc2S1(=O)=O)C(=O)NO Show InChI InChI=1S/C18H18F3N3O5S/c1-11(17(25)23-26)24-9-8-22-15-10-14(6-7-16(15)30(24,27)28)29-13-4-2-12(3-5-13)18(19,20)21/h2-7,10-11,22,26H,8-9H2,1H3,(H,23,25)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)				J Med Chem 46: 1811-23 (2003) Article DOI: 10.1021/jm020475w BindingDB Entry DOI: 10.7270/Q2TQ60W7
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50127462 (2-[7-(Biphenyl-4-yloxy)-1,1-dioxo-1,3,4,5-tetrahyd...) Show SMILES C[C@@H](N1CCNc2cc(Oc3ccc(cc3)-c3ccccc3)ccc2S1(=O)=O)C(=O)NO Show InChI InChI=1S/C23H23N3O5S/c1-16(23(27)25-28)26-14-13-24-21-15-20(11-12-22(21)32(26,29)30)31-19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-12,15-16,24,28H,13-14H2,1H3,(H,25,27)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)				J Med Chem 46: 1811-23 (2003) Article DOI: 10.1021/jm020475w BindingDB Entry DOI: 10.7270/Q2TQ60W7
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50127451 (CHEMBL53643 | N-Hydroxy-2-[7-(4-methoxy-phenoxy)-1...) Show SMILES COc1ccc(Oc2ccc3c(NCCN([C@H](C)C(=O)NO)S3(=O)=O)c2)cc1 Show InChI InChI=1S/C18H21N3O6S/c1-12(18(22)20-23)21-10-9-19-16-11-15(7-8-17(16)28(21,24)25)27-14-5-3-13(26-2)4-6-14/h3-8,11-12,19,23H,9-10H2,1-2H3,(H,20,22)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)				J Med Chem 46: 1811-23 (2003) Article DOI: 10.1021/jm020475w BindingDB Entry DOI: 10.7270/Q2TQ60W7
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50127450 (CHEMBL51966 | N-Hydroxy-2-(7-hydroxy-1,1-dioxo-1,3...) Show SMILES C[C@@H](N1CCNc2cc(O)ccc2S1(=O)=O)C(=O)NO Show InChI InChI=1S/C11H15N3O5S/c1-7(11(16)13-17)14-5-4-12-9-6-8(15)2-3-10(9)20(14,18)19/h2-3,6-7,12,15,17H,4-5H2,1H3,(H,13,16)/t7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)				J Med Chem 46: 1811-23 (2003) Article DOI: 10.1021/jm020475w BindingDB Entry DOI: 10.7270/Q2TQ60W7
					More data for this Ligand-Target Pair