Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50216001'   

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))	BDBM50216001 (CHEMBL247947 | cis-4-((2-methylquinolin-4-yl)metho...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(CC#C)CC[C@@H]2c2n[nH]c(=S)[nH]2)c2ccccc2n1 Show InChI InChI=1S/C28H28N6O2S/c1-3-13-34-14-12-23(26-31-28(37)33-32-26)25(16-34)30-27(35)19-8-10-21(11-9-19)36-17-20-15-18(2)29-24-7-5-4-6-22(20)24/h1,4-11,15,23,25H,12-14,16-17H2,2H3,(H,30,35)(H2,31,32,33,37)/t23-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 17: 4678-82 (2007) Article DOI: 10.1016/j.bmcl.2007.05.100 BindingDB Entry DOI: 10.7270/Q2H41R4X
					More data for this Ligand-Target Pair