Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50371349'   

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))	BDBM50371349 (CHEMBL401979) Show SMILES CC(=O)N1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO Show InChI InChI=1S/C25H26N4O5/c1-15-11-18(20-5-3-4-6-22(20)26-15)14-34-19-9-7-17(8-10-19)24(31)27-23-13-29(16(2)30)12-21(23)25(32)28-33/h3-11,21,23,33H,12-14H2,1-2H3,(H,27,31)(H,28,32)/t21-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Binding affinity to MMP2				Bioorg Med Chem Lett 18: 694-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.059 BindingDB Entry DOI: 10.7270/Q2BV7HGG
					More data for this Ligand-Target Pair