Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50101732'   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50101732 (((R)-4'-Methoxy-biphenyl-4-sulfonylamino)-{4-[meth...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H]([C@H]1CC[C@@H](CC1)N(C)C(=O)N1CCOCC1)C(O)=O |wU:19.21,wD:18.19,22.27,(19.04,3.61,;17.7,4.37,;16.37,3.58,;16.37,2.04,;15.04,1.27,;13.71,2.04,;13.71,3.58,;15.01,4.37,;12.37,1.27,;12.37,-.29,;11.04,-1.05,;9.71,-.29,;9.71,1.25,;11.04,2.04,;8.36,-1.05,;7.27,-2.15,;9.45,-2.15,;7.01,-.29,;5.68,-1.05,;5.68,-2.62,;7.01,-3.36,;7.01,-4.9,;5.66,-5.68,;4.35,-4.9,;4.35,-3.36,;5.68,-7.22,;7.01,-7.99,;4.35,-8.02,;4.35,-9.55,;3.01,-7.25,;1.68,-8.02,;.35,-7.25,;.35,-5.7,;1.68,-4.92,;3.01,-5.7,;4.35,-.29,;3.01,-1.05,;4.35,1.25,)| Show InChI InChI=1S/C27H35N3O7S/c1-29(27(33)30-15-17-37-18-16-30)22-9-3-21(4-10-22)25(26(31)32)28-38(34,35)24-13-7-20(8-14-24)19-5-11-23(36-2)12-6-19/h5-8,11-14,21-22,25,28H,3-4,9-10,15-18H2,1-2H3,(H,31,32)/t21-,22-,25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	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-13				Bioorg Med Chem Lett 11: 1975-9 (2001) BindingDB Entry DOI: 10.7270/Q2S181SV
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