Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50101506'   

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))	BDBM50101506 ((R)-3-{(S)-2-cyclohexyl-1-[2-(4-sulfamoyl-phenyl)-...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CCCc2ccccc2)CC(O)=O)cc1 Show InChI InChI=1S/C30H41N3O6S/c31-40(38,39)26-16-14-23(15-17-26)18-19-32-30(37)27(20-24-10-5-2-6-11-24)33-29(36)25(21-28(34)35)13-7-12-22-8-3-1-4-9-22/h1,3-4,8-9,14-17,24-25,27H,2,5-7,10-13,18-21H2,(H,32,37)(H,33,36)(H,34,35)(H2,31,38,39)/t25-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the Gelatinase-A enzyme was determined from purified NSO cells.				Bioorg Med Chem Lett 4: 2747-2752 (1994) Article DOI: 10.1016/S0960-894X(01)80588-6 BindingDB Entry DOI: 10.7270/Q2JH3M3P
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50101506 ((R)-3-{(S)-2-cyclohexyl-1-[2-(4-sulfamoyl-phenyl)-...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CCCc2ccccc2)CC(O)=O)cc1 Show InChI InChI=1S/C30H41N3O6S/c31-40(38,39)26-16-14-23(15-17-26)18-19-32-30(37)27(20-24-10-5-2-6-11-24)33-29(36)25(21-28(34)35)13-7-12-22-8-3-1-4-9-22/h1,3-4,8-9,14-17,24-25,27H,2,5-7,10-13,18-21H2,(H,32,37)(H,33,36)(H,34,35)(H2,31,38,39)/t25-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibitory constant against matrix metalloproteinase-2				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
					More data for this Ligand-Target Pair