Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50213949'   

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))	BDBM50213949 (3-((4-(but-2-ynylamino)phenylsulfonyl)methyl)-N-hy...) Show SMILES CC#CCNc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)c1cccc(C)c1)C(=O)NO |w:15.15| Show InChI InChI=1S/C25H29N3O5S/c1-3-4-14-26-21-9-11-22(12-10-21)34(32,33)18-25(24(30)27-31)13-6-15-28(17-25)23(29)20-8-5-7-19(2)16-20/h5,7-12,16,26,31H,6,13-15,17-18H2,1-2H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair