Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50195920'   

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))	BDBM50195920 (CHEMBL240854 | N-((5-(4-benzylpiperazin-1-yl)-2,4,...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NCC2(N3CCN(Cc4ccccc4)CC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C34H34N6O5/c1-23-19-26(28-9-5-6-10-29(28)36-23)21-45-27-13-11-25(12-14-27)30(41)35-22-34(31(42)37-33(44)38-32(34)43)40-17-15-39(16-18-40)20-24-7-3-2-4-8-24/h2-14,19H,15-18,20-22H2,1H3,(H,35,41)(H2,37,38,42,43,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+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