Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50107582'   

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))	BDBM50107582 ((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...) Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C27H26N6O4/c34-23-14-18-5-1-2-7-21(18)25(23)28-27(36)19(15-24(35)31-37)13-16-9-11-17(12-10-16)20-6-3-4-8-22(20)26-29-32-33-30-26/h1-12,19,23,25,34,37H,13-15H2,(H,28,36)(H,31,35)(H,29,30,32,33)/t19-,23-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharma Company Curated by ChEMBL					Assay Description Binding affinity for human gelatinase A (MMP-2)				Bioorg Med Chem Lett 12: 101-4 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q1C
					More data for this Ligand-Target Pair