Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50283711'   

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))	BDBM50283711 ((R)-2-[3-(4-Chloro-phenyl)-propyl]-N*1*-[(S)-2-cyc...) Show SMILES ONC(=O)C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)N1CCOCC1 Show InChI InChI=1S/C29H43ClN4O6/c30-24-11-9-21(10-12-24)7-4-8-23(20-26(35)33-39)28(37)32-25(19-22-5-2-1-3-6-22)29(38)31-14-13-27(36)34-15-17-40-18-16-34/h9-12,22-23,25,39H,1-8,13-20H2,(H,31,38)(H,32,37)(H,33,35)/t23-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.0200	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.				Bioorg Med Chem Lett 4: 2741-2746 (1994) Article DOI: 10.1016/S0960-894X(01)80587-4 BindingDB Entry DOI: 10.7270/Q2P84BT0
					More data for this Ligand-Target Pair