Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50057064'   

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))	BDBM50057064 ((2S,4R)-2-Butyl-6-(4'-dimethylcarbamoyl-biphenyl-4...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)C(=O)N(C)C)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C33H47N3O5/c1-8-9-10-27(32(40)41)21-26(29(37)35-28(30(38)34-5)33(2,3)4)16-13-22-11-14-23(15-12-22)24-17-19-25(20-18-24)31(39)36(6)7/h11-12,14-15,17-20,26-28H,8-10,13,16,21H2,1-7H3,(H,34,38)(H,35,37)(H,40,41)/t26-,27+,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gelatinase A (Matrix metalloproteinase-2)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair