Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxypeptidase B2' and Ligand = 'BDBM50197574'   

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
Carboxypeptidase B2 (Homo sapiens (Human))	BDBM50197574 (CHEMBL3945165) Show SMILES CCC[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,TLB:20:21:25.24:28| Show InChI InChI=1S/C21H40N4O5S/c1-5-8-15(24-31(29,30)25-16(19(27)28)9-6-7-12-22)18(26)23-17-13-14-10-11-21(17,4)20(14,2)3/h14-17,24-25H,5-13,22H2,1-4H3,(H,23,26)(H,27,28)/t14-,15+,16+,17+,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Inhibition of activated human plasma TAFI incubated for 15 mins by chromogenic assay				J Med Chem 59: 9567-9573 (2016) Article DOI: 10.1021/acs.jmedchem.6b01276 BindingDB Entry DOI: 10.7270/Q2MG7RG2
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