Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxypeptidase A1' and Ligand = 'BDBM50411601'   

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 (Homo sapiens (Human))	BDBM50411601 (CHEMBL254911) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(OCc2ccc(F)cc2)cc1)C(O)=O Show InChI InChI=1S/C22H26FNO4S/c1-3-14(2)20(29)21(25)24-19(22(26)27)12-15-6-10-18(11-7-15)28-13-16-4-8-17(23)9-5-16/h4-11,14,19-20,29H,3,12-13H2,1-2H3,(H,24,25)(H,26,27)/t14-,19+,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CpA by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
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