Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50101735'   

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))	BDBM50101735 (((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-(4-pheny...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)Nc1ccccc1)C(O)=O |wD:18.19,(17.51,2.31,;16.17,3.08,;14.84,2.31,;13.49,3.07,;12.18,2.29,;12.19,.76,;13.52,-.01,;14.85,.76,;10.86,-.02,;10.86,-1.56,;9.52,-2.33,;8.19,-1.56,;8.19,-.02,;9.52,.75,;6.86,-2.33,;7.94,-3.43,;5.76,-3.43,;5.51,-1.56,;4.18,-2.33,;4.18,-3.87,;5.51,-4.63,;5.51,-6.17,;4.18,-6.94,;2.85,-6.17,;2.85,-4.64,;4.18,-8.48,;5.51,-9.26,;6.84,-8.49,;8.17,-9.25,;8.17,-10.8,;6.82,-11.57,;5.49,-10.8,;2.85,-1.56,;1.52,-2.33,;2.85,-.02,)| Show InChI InChI=1S/C27H30N2O5S/c1-34-24-15-9-19(10-16-24)20-11-17-25(18-12-20)35(32,33)29-26(27(30)31)21-7-13-23(14-8-21)28-22-5-3-2-4-6-22/h2-6,9-12,15-18,21,23,26,28-29H,7-8,13-14H2,1H3,(H,30,31)/t21?,23?,26-/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	12	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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