Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50101728'   

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))	BDBM50101728 (CHEMBL62089 | [4-(2,5-Dioxo-imidazolidin-1-yl)-cyc...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)n1c(O)c[nH]c1=O)C(O)=O |wD:18.19,(16.83,1.91,;15.49,2.68,;14.16,1.91,;14.17,.34,;12.84,-.43,;11.51,.34,;11.5,1.88,;12.82,2.65,;10.18,-.43,;8.84,.34,;7.51,-.43,;7.51,-1.97,;8.84,-2.74,;10.18,-1.97,;6.18,-2.74,;5.09,-3.83,;7.26,-3.83,;4.84,-1.97,;3.5,-2.74,;3.51,-4.28,;2.17,-5.05,;2.17,-6.59,;3.5,-7.36,;4.83,-6.59,;4.84,-5.05,;3.5,-8.9,;4.74,-9.81,;6.21,-9.34,;4.27,-11.28,;2.73,-11.25,;2.26,-9.81,;.79,-9.32,;2.17,-1.97,;.84,-2.74,;2.17,-.43,)| Show InChI InChI=1S/C24H27N3O7S/c1-34-19-10-4-15(5-11-19)16-6-12-20(13-7-16)35(32,33)26-22(23(29)30)17-2-8-18(9-3-17)27-21(28)14-25-24(27)31/h4-7,10-14,17-18,22,26,28H,2-3,8-9H2,1H3,(H,25,31)(H,29,30)/t17?,18?,22-/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	64	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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