Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 9 entry = 50007572   

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
Stromelysin-1 (Homo sapiens (Human))	BDBM50064794 ((3R,6S)-6-Cyclohexylmethyl-3-mercaptomethyl-1-quin...) Show SMILES SC[C@@H]1NC(=O)[C@H](CC2CCCCC2)N(Cc2ccc3ccccc3n2)C1=O Show InChI InChI=1S/C22H27N3O2S/c26-21-20(12-15-6-2-1-3-7-15)25(22(27)19(14-28)24-21)13-17-11-10-16-8-4-5-9-18(16)23-17/h4-5,8-11,15,19-20,28H,1-3,6-7,12-14H2,(H,24,26)/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description Inhibition of Matrix Metalloproteinase-3				J Med Chem 41: 2194-200 (1998) Article DOI: 10.1021/jm980133j BindingDB Entry DOI: 10.7270/Q2J38RN8
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50064796 ((3R,6S)-6-Butyl-1-cyclohexylmethyl-3-mercaptomethy...) Show SMILES CCCC[C@@H]1N(CC2CCCCC2)C(=O)[C@H](CS)NC1=O Show InChI InChI=1S/C16H28N2O2S/c1-2-3-9-14-15(19)17-13(11-21)16(20)18(14)10-12-7-5-4-6-8-12/h12-14,21H,2-11H2,1H3,(H,17,19)/t13-,14-/m0/s1	PDB MMDB 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	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description Inhibition of Matrix Metalloproteinase-3				J Med Chem 41: 2194-200 (1998) Article DOI: 10.1021/jm980133j BindingDB Entry DOI: 10.7270/Q2J38RN8
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50064797 ((3R,6S)-6-Cyclohexylmethyl-3-mercaptomethyl-1-(4-m...) Show SMILES COc1ccc(CN2[C@@H](CC3CCCCC3)C(=O)N[C@@H](CS)C2=O)cc1 Show InChI InChI=1S/C20H28N2O3S/c1-25-16-9-7-15(8-10-16)12-22-18(11-14-5-3-2-4-6-14)19(23)21-17(13-26)20(22)24/h7-10,14,17-18,26H,2-6,11-13H2,1H3,(H,21,23)/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description Inhibition of Matrix Metalloproteinase-3				J Med Chem 41: 2194-200 (1998) Article DOI: 10.1021/jm980133j BindingDB Entry DOI: 10.7270/Q2J38RN8
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50064798 ((3R,6S)-6-Benzyl-3-mercaptomethyl-1-(4-methoxy-ben...) Show SMILES COc1ccc(CN2[C@@H](Cc3ccccc3)C(=O)N[C@@H](CS)C2=O)cc1 Show InChI InChI=1S/C20H22N2O3S/c1-25-16-9-7-15(8-10-16)12-22-18(11-14-5-3-2-4-6-14)19(23)21-17(13-26)20(22)24/h2-10,17-18,26H,11-13H2,1H3,(H,21,23)/t17-,18-/m0/s1	PDB MMDB 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	4.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description Inhibition of Matrix Metalloproteinase-3				J Med Chem 41: 2194-200 (1998) Article DOI: 10.1021/jm980133j BindingDB Entry DOI: 10.7270/Q2J38RN8
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50064795 ((3R,6S)-6-Benzyl-1-butyl-3-mercaptomethyl-piperazi...) Show SMILES CCCCN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](CS)C1=O Show InChI InChI=1S/C16H22N2O2S/c1-2-3-9-18-14(10-12-7-5-4-6-8-12)15(19)17-13(11-21)16(18)20/h4-8,13-14,21H,2-3,9-11H2,1H3,(H,17,19)/t13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description Inhibition of Matrix Metalloproteinase-3				J Med Chem 41: 2194-200 (1998) Article DOI: 10.1021/jm980133j BindingDB Entry DOI: 10.7270/Q2J38RN8
					More data for this Ligand-Target Pair