Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50195901'   

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))	BDBM50195901 (CHEMBL247966 | N-((5-(4-acetylpiperazin-1-yl)-2,4,...) Show SMILES CC(=O)N1CCN(CC1)C1(CNC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C29H30N6O6/c1-18-15-21(23-5-3-4-6-24(23)31-18)16-41-22-9-7-20(8-10-22)25(37)30-17-29(26(38)32-28(40)33-27(29)39)35-13-11-34(12-14-35)19(2)36/h3-10,15H,11-14,16-17H2,1-2H3,(H,30,37)(H2,32,33,38,39,40)	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: 266-71 (2006) Article DOI: 10.1016/j.bmcl.2006.09.048 BindingDB Entry DOI: 10.7270/Q2NK3DPF
					More data for this Ligand-Target Pair