Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutamate carboxypeptidase 2' and Ligand = 'BDBM50544832'   

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
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50544832 (CHEMBL4636677) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(C[C@H](NC(=O)CNC(=O)c2ccc(I)cc2)C(O)=O)cc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C41H47IN6O14/c42-27-13-11-26(12-14-27)36(53)44-22-33(49)46-32(40(59)60)21-25-9-15-28(16-10-25)62-23-34(50)45-31(20-24-6-2-1-3-7-24)37(54)43-19-5-4-8-29(38(55)56)47-41(61)48-30(39(57)58)17-18-35(51)52/h1-3,6-7,9-16,29-32H,4-5,8,17-23H2,(H,43,54)(H,44,53)(H,45,50)(H,46,49)(H,51,52)(H,55,56)(H,57,58)(H,59,60)(H2,47,48,61)/t29-,30-,31-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1095 from PSMA in human PC3-PIP cells after 1 hr by gamma counter analysis				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115319 BindingDB Entry DOI: 10.7270/Q2CF9TPT
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