Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50101718'   

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))	BDBM50101718 (((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-{4-[(2-m...) Show SMILES COCCOC(=O)N(C)C1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O |wD:15.16,(11.95,-8.85,;10.62,-9.6,;9.29,-8.83,;7.94,-9.6,;6.61,-8.83,;5.28,-9.6,;5.28,-11.14,;3.95,-8.83,;2.61,-9.6,;3.95,-7.29,;2.62,-6.52,;2.62,-4.98,;3.97,-4.21,;5.3,-4.98,;5.28,-6.52,;3.95,-2.67,;5.3,-1.9,;6.63,-2.67,;7.72,-3.76,;5.54,-3.76,;7.96,-1.9,;7.96,-.36,;9.29,.41,;10.64,-.36,;10.64,-1.9,;9.29,-2.67,;11.97,.41,;11.95,1.95,;13.28,2.72,;14.61,1.98,;15.94,2.75,;17.29,1.98,;14.63,.41,;13.3,-.36,;2.62,-1.9,;1.29,-2.67,;2.62,-.36,)| Show InChI InChI=1S/C26H34N2O8S/c1-28(26(31)36-17-16-34-2)21-10-4-20(5-11-21)24(25(29)30)27-37(32,33)23-14-8-19(9-15-23)18-6-12-22(35-3)13-7-18/h6-9,12-15,20-21,24,27H,4-5,10-11,16-17H2,1-3H3,(H,29,30)/t20?,21?,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against Matrix metalloproteinase-2				Bioorg Med Chem Lett 11: 1975-9 (2001) BindingDB Entry DOI: 10.7270/Q2S181SV
					More data for this Ligand-Target Pair