Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50101713'   

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))	BDBM50101713 ((3-Benzylamino-cyclohexyl)-(4'-methoxy-biphenyl-4-...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)NCc1ccccc1)C(O)=O Show InChI InChI=1S/C28H32N2O5S/c1-35-25-14-10-21(11-15-25)22-12-16-26(17-13-22)36(33,34)30-27(28(31)32)23-8-5-9-24(18-23)29-19-20-6-3-2-4-7-20/h2-4,6-7,10-17,23-24,27,29-30H,5,8-9,18-19H2,1H3,(H,31,32)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against Matrix metalloproteinase-2				Bioorg Med Chem Lett 11: 1975-9 (2001) BindingDB Entry DOI: 10.7270/Q2S181SV
					More data for this Ligand-Target Pair