Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM138151'   

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
Cathepsin B (Homo sapiens (Human))	BDBM138151 (US8877967, 22) Show SMILES CC(C)Oc1ccc(cc1)C(=O)c1cccc(c1)C(=NNC(N)=S)c1ccc(OC(C)C)cc1 |w:19.21| Show InChI InChI=1S/C27H29N3O3S/c1-17(2)32-23-12-8-19(9-13-23)25(29-30-27(28)34)21-6-5-7-22(16-21)26(31)20-10-14-24(15-11-20)33-18(3)4/h5-18H,1-4H3,(H3,28,30,34)/b29-25+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	6.0	n/a
OXiGENE, Inc.; Baylor University US Patent					Assay Description Human liver Cathepsin B (Calbiochem) was pre-incubated with test compound at various concentrations for 5 minutes at 37C. The assay was initiated by ...				US Patent US8877967 (2014) BindingDB Entry DOI: 10.7270/Q25H7F0C
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