Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxypeptidase B2' and Ligand = 'BDBM50197555'   

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))	BDBM50197555 (CHEMBL3900483) Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r,THB:10:8:5.4:1| Show InChI InChI=1S/C22H40N4O5S/c1-21(2)15-9-10-22(21,3)18(13-15)24-19(27)17(12-14-7-8-14)26-32(30,31)25-16(20(28)29)6-4-5-11-23/h14-18,25-26H,4-13,23H2,1-3H3,(H,24,27)(H,28,29)/t15-,16+,17+,18+,22+/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	230	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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