Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glutamate carboxypeptidase 2' and Ligand = 'BDBM50246934'   

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))	BDBM50246934 ((S)-2-(3-((S)-1-carboxy-5-(4-fluorobenzamido)penty...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(F)cc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H24FN3O8/c20-12-6-4-11(5-7-12)16(26)21-10-2-1-3-13(17(27)28)22-19(31)23-14(18(29)30)8-9-15(24)25/h4-7,13-14H,1-3,8-10H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t13-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.194	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institutions Curated by ChEMBL					Assay Description Inhibition of PSMA in human LNCaP cell extract using [3H]NAAG by fluorescence-based assay				J Med Chem 51: 7933-43 (2008) Article DOI: 10.1021/jm801055h BindingDB Entry DOI: 10.7270/Q2RV0NKJ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50246934 ((S)-2-(3-((S)-1-carboxy-5-(4-fluorobenzamido)penty...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(F)cc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H24FN3O8/c20-12-6-4-11(5-7-12)16(26)21-10-2-1-3-13(17(27)28)22-19(31)23-14(18(29)30)8-9-15(24)25/h4-7,13-14H,1-3,8-10H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t13-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.256	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institutions Curated by ChEMBL					Assay Description Inhibition of PSMA in human LNCaP cell extract using [3H]NAAG by radiometric assay				J Med Chem 51: 7933-43 (2008) Article DOI: 10.1021/jm801055h BindingDB Entry DOI: 10.7270/Q2RV0NKJ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50246934 ((S)-2-(3-((S)-1-carboxy-5-(4-fluorobenzamido)penty...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(F)cc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H24FN3O8/c20-12-6-4-11(5-7-12)16(26)21-10-2-1-3-13(17(27)28)22-19(31)23-14(18(29)30)8-9-15(24)25/h4-7,13-14H,1-3,8-10H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t13-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	3.10	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
					More data for this Ligand-Target Pair