Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxypeptidase B2' and Ligand = 'BDBM50197529'   

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))	BDBM50197529 (CHEMBL3944308) Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CC1CCC(N)CC1)C(O)=O |r,wU:13.15,3.2,6.7,wD:26.29,8.11,THB:10:8:5.4:1,(19.19,-13.84,;19.2,-15.38,;17.7,-15.78,;20.04,-16.52,;19.39,-17.68,;19.32,-18.96,;20.22,-17.79,;20.62,-19.27,;21.62,-17.83,;21.61,-16.65,;22.96,-18.59,;24.29,-17.83,;24.29,-16.28,;25.63,-18.59,;25.63,-20.14,;24.29,-20.91,;22.96,-20.1,;21.62,-20.87,;21.6,-22.41,;22.93,-23.2,;24.29,-22.44,;26.98,-17.82,;28.33,-18.6,;27.22,-19.69,;29.41,-19.69,;29.68,-17.83,;31.03,-18.6,;31.03,-20.15,;32.36,-20.92,;32.35,-22.46,;33.68,-23.23,;35.01,-22.46,;36.34,-23.24,;35.02,-20.92,;33.68,-20.14,;32.36,-17.84,;33.69,-18.6,;32.36,-16.29,)| Show InChI InChI=1S/C28H50N4O5S/c1-27(2)20-13-14-28(27,3)24(17-20)30-25(33)22(15-18-7-5-4-6-8-18)31-38(36,37)32-23(26(34)35)16-19-9-11-21(29)12-10-19/h18-24,31-32H,4-17,29H2,1-3H3,(H,30,33)(H,34,35)/t19?,20-,21?,22+,23+,24+,28+/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	>3.00E+4	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 in presence of 1% human serum albumin 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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