Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50107575'   

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))	BDBM50107575 ((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...) Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C26H25N3O6/c30-23-14-19-4-1-2-7-22(19)25(23)27-26(32)20(15-24(31)28-33)12-16-8-10-17(11-9-16)18-5-3-6-21(13-18)29(34)35/h1-11,13,20,23,25,30,33H,12,14-15H2,(H,27,32)(H,28,31)/t20-,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	2.80	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