Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutamate carboxypeptidase 2' and Ligand = 'BDBM479464'   

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))	BDBM479464 (US10894807, ID P285) Show SMILES OC(=O)CCC(NC(=O)N[C@@H](Cc1ccc(NC(=O)CCC(CCC(=O)Nc2ccc(CC(NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)cc2)(CCC(=O)Nc2ccc(C[C@H](NC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)cc2)NC(=O)CCCCn2cc(CCCF)nn2)cc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C65H82FN13O25/c66-30-3-4-42-35-79(78-77-42)31-2-1-5-52(83)76-65(27-24-49(80)67-39-12-6-36(7-13-39)32-46(59(96)97)73-62(102)70-43(56(90)91)18-21-53(84)85,28-25-50(81)68-40-14-8-37(9-15-40)33-47(60(98)99)74-63(103)71-44(57(92)93)19-22-54(86)87)29-26-51(82)69-41-16-10-38(11-17-41)34-48(61(100)101)75-64(104)72-45(58(94)95)20-23-55(88)89/h6-17,35,43-48H,1-5,18-34H2,(H,67,80)(H,68,81)(H,69,82)(H,76,83)(H,84,85)(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H2,70,73,102)(H2,71,74,103)(H2,72,75,104)/t43-,44?,45?,46?,47-,48-,65?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siemens Medical Solutions USA, Inc. US Patent					Assay Description The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...				US Patent US10894807 (2021) BindingDB Entry DOI: 10.7270/Q2SN0D25
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