Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50097260'   

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))	BDBM50097260 ((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(c1)C(F)(F)F)CC(=O)NO)C(C)(C)C Show InChI InChI=1S/C27H34F3N3O4/c1-26(2,3)23(25(36)31-4)32-24(35)19(16-22(34)33-37)12-8-9-17-13-14-20(18-10-6-5-7-11-18)21(15-17)27(28,29)30/h5-7,10-11,13-15,19,23,37H,8-9,12,16H2,1-4H3,(H,31,36)(H,32,35)(H,33,34)/t19-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Concentration required to inhibit the catalytic domain Matrix metalloprotease-2 using Nagase fluorogenic as a substrate.				Bioorg Med Chem Lett 11: 571-4 (2001) BindingDB Entry DOI: 10.7270/Q22B8X9X
					More data for this Ligand-Target Pair