Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxypeptidase A1' and Ligand = 'BDBM50270385'   

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 A1 (Bos taurus (bovine))	BDBM50270385 (CHEMBL477075 | trans-(2RS,3RS)-3-(4-Pyridyl)-2-tri...) Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccncc1)[Si](C)(C)C |r| Show InChI InChI=1S/C22H42N3OPSSi/c1-16(2)24(17(3)4)27(28,25(18(5)6)19(7)8)22(29(9,10)11)21(26-22)20-12-14-23-15-13-20/h12-19,21H,1-11H3/t21-,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.96E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibition of bovine pancreatic carboxypeptidase A				Bioorg Med Chem 16: 4823-8 (2008) Article DOI: 10.1016/j.bmc.2008.03.047 BindingDB Entry DOI: 10.7270/Q2CV4HJJ
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