Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cysteine proteinase B' and Ligand = 'BDBM50134127'   

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
Cysteine proteinase B (Leishmania mexicana)	BDBM50134127 (CHEMBL607122) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N1NC[C@@H]2[C@H]1C(=O)CN2C(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H36N4O4/c1-18(2)15-22(31-26(35)19-11-13-21(14-12-19)29(3,4)5)28(37)33-25-23(16-30-33)32(17-24(25)34)27(36)20-9-7-6-8-10-20/h6-14,18,22-23,25,30H,15-17H2,1-5H3,(H,31,35)/t22-,23+,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amura Therapeutics Limited, Inc Curated by ChEMBL					Assay Description Binding affinity against Leishmania mexicana cysteine peptidase B (CPB)				Bioorg Med Chem Lett 15: 1327-31 (2005) Article DOI: 10.1016/j.bmcl.2005.01.022 BindingDB Entry DOI: 10.7270/Q2SB46HX
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