Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50101717'   

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))	BDBM50101717 (((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-[4-(2-me...) Show SMILES COCCOC(=O)NC1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O |wD:14.15,(12.14,-8.5,;10.81,-9.24,;9.48,-8.47,;8.12,-9.24,;6.79,-8.47,;5.46,-9.24,;5.46,-10.79,;4.12,-8.47,;4.12,-6.93,;5.46,-6.16,;5.48,-4.61,;4.15,-3.84,;2.79,-4.61,;2.79,-6.16,;4.12,-2.3,;5.48,-1.53,;6.81,-2.3,;5.71,-3.4,;7.91,-3.4,;8.14,-1.53,;9.48,-2.3,;10.83,-1.53,;10.83,.02,;9.48,.79,;8.14,.02,;12.17,.79,;12.14,2.33,;13.48,3.1,;14.81,2.35,;16.14,3.13,;17.5,2.35,;14.83,.79,;13.5,.02,;2.79,-1.53,;1.46,-2.3,;2.79,.02,)| Show InChI InChI=1S/C25H32N2O8S/c1-33-15-16-35-25(30)26-20-9-3-19(4-10-20)23(24(28)29)27-36(31,32)22-13-7-18(8-14-22)17-5-11-21(34-2)12-6-17/h5-8,11-14,19-20,23,27H,3-4,9-10,15-16H2,1-2H3,(H,26,30)(H,28,29)/t19?,20?,23-/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	5	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
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