Compile Data Set for Download or QSAR

Found 211 hits with Last Name = 'pomper' and Initial = 'mg'   

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))	BDBM50246899 ((S)-2-(3-((S)-1-carboxy-5-(4-iodobenzamido)pentyl)...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H24IN3O8/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 MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.0100	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				3D Structure (crystal)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50246899 ((S)-2-(3-((S)-1-carboxy-5-(4-iodobenzamido)pentyl)...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H24IN3O8/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 MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.0100	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				3D Structure (crystal)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM456924 (US10736974, Compound YC-I-27) Show SMILES OC(=O)CC[C@H](NC(=O)NC[C@@H](NC(=O)CCCNC(=O)c1ccc(I)cc1)OC=O)C(O)=O |r| Show InChI InChI=1S/C20H25IN4O9/c21-13-5-3-12(4-6-13)18(30)22-9-1-2-15(27)25-16(34-11-26)10-23-20(33)24-14(19(31)32)7-8-17(28)29/h3-6,11,14,16H,1-2,7-10H2,(H,22,30)(H,25,27)(H,28,29)(H,31,32)(H2,23,24,33)/t14-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE JOHNS HOPKINS UNIVERSITY US Patent					Assay Description The PSMA inhibitory activity was determined using a modification of the fluorescence-based Amplex Red Glutamic Acid Assay. Briefly, lysates of LNCaP ...				US Patent US10736974 (2020) BindingDB Entry DOI: 10.7270/Q29C71GJ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM456928 (US10736974, Compound XY-44) Show SMILES OC(=O)CC[C@H](NC(=O)NC[C@@H](NC(=O)CCCNC(=O)c1ccc(I)cc1F)OC=O)C(O)=O |r| Show InChI InChI=1S/C20H24FIN4O9/c21-13-8-11(22)3-4-12(13)18(31)23-7-1-2-15(28)26-16(35-10-27)9-24-20(34)25-14(19(32)33)5-6-17(29)30/h3-4,8,10,14,16H,1-2,5-7,9H2,(H,23,31)(H,26,28)(H,29,30)(H,32,33)(H2,24,25,34)/t14-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE JOHNS HOPKINS UNIVERSITY US Patent					Assay Description The PSMA inhibitory activity was determined using a modification of the fluorescence-based Amplex Red Glutamic Acid Assay. Briefly, lysates of LNCaP ...				US Patent US10736974 (2020) BindingDB Entry DOI: 10.7270/Q29C71GJ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM456930 (US10736974, Compound XY-59) Show SMILES OC(=O)CC[C@H](NC(=O)NC[C@@H](NC(=O)CCCNC(=O)c1ccc(Br)cc1)OC=O)C(O)=O |r| Show InChI InChI=1S/C20H25BrN4O9/c21-13-5-3-12(4-6-13)18(30)22-9-1-2-15(27)25-16(34-11-26)10-23-20(33)24-14(19(31)32)7-8-17(28)29/h3-6,11,14,16H,1-2,7-10H2,(H,22,30)(H,25,27)(H,28,29)(H,31,32)(H2,23,24,33)/t14-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE JOHNS HOPKINS UNIVERSITY US Patent					Assay Description The PSMA inhibitory activity was determined using a modification of the fluorescence-based Amplex Red Glutamic Acid Assay. Briefly, lysates of LNCaP ...				US Patent US10736974 (2020) BindingDB Entry DOI: 10.7270/Q29C71GJ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM456923 (US10736974, Compound DCIBC) Show SMILES OC(=O)CC[C@H](NC(=O)NCCSCc1ccc(I)cc1)C(O)=O |r| Show InChI InChI=1S/C15H19IN2O5S/c16-11-3-1-10(2-4-11)9-24-8-7-17-15(23)18-12(14(21)22)5-6-13(19)20/h1-4,12H,5-9H2,(H,19,20)(H,21,22)(H2,17,18,23)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE JOHNS HOPKINS UNIVERSITY US Patent					Assay Description The PSMA inhibitory activity was determined using a modification of the fluorescence-based Amplex Red Glutamic Acid Assay. Briefly, lysates of LNCaP ...				US Patent US10736974 (2020) BindingDB Entry DOI: 10.7270/Q29C71GJ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM578399 (US11478558, Compound L9) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(Br)cc1)C(=O)CCCCNC(=O)CCC(N1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(O)=O)C(O)=O)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TBD				Citation and Details BindingDB Entry DOI: 10.7270/Q20P138Q
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM456931 (US10736974, Compound XY-58) Show SMILES Cc1cc(Br)ccc1C(=O)NCCCC(=O)N[C@H](CNC(=O)N[C@@H](CCC(O)=O)C(O)=O)OC=O |r| Show InChI InChI=1S/C21H27BrN4O9/c1-12-9-13(22)4-5-14(12)19(31)23-8-2-3-16(28)26-17(35-11-27)10-24-21(34)25-15(20(32)33)6-7-18(29)30/h4-5,9,11,15,17H,2-3,6-8,10H2,1H3,(H,23,31)(H,26,28)(H,29,30)(H,32,33)(H2,24,25,34)/t15-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE JOHNS HOPKINS UNIVERSITY US Patent					Assay Description The PSMA inhibitory activity was determined using a modification of the fluorescence-based Amplex Red Glutamic Acid Assay. Briefly, lysates of LNCaP ...				US Patent US10736974 (2020) BindingDB Entry DOI: 10.7270/Q29C71GJ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM456929 (US10736974, Compound XY-45) Show SMILES OC(=O)CC[C@H](NC(=O)NC[C@@H](NC(=O)CCCNC(=O)c1ccc(cc1F)C1=CCCCC1)OC=O)C(O)=O |r,t:29| Show InChI InChI=1S/C26H33FN4O9/c27-19-13-17(16-5-2-1-3-6-16)8-9-18(19)24(36)28-12-4-7-21(33)31-22(40-15-32)14-29-26(39)30-20(25(37)38)10-11-23(34)35/h5,8-9,13,15,20,22H,1-4,6-7,10-12,14H2,(H,28,36)(H,31,33)(H,34,35)(H,37,38)(H2,29,30,39)/t20-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE JOHNS HOPKINS UNIVERSITY US Patent					Assay Description The PSMA inhibitory activity was determined using a modification of the fluorescence-based Amplex Red Glutamic Acid Assay. Briefly, lysates of LNCaP ...				US Patent US10736974 (2020) BindingDB Entry DOI: 10.7270/Q29C71GJ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM578398 (US11478558, Compound L8) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(Br)cc1)C(=O)CCCCNC(=S)Nc1ccc(CC2CN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CCN2CC(O)=O)cc1)C(O)=O)C(O)=O |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TBD				Citation and Details BindingDB Entry DOI: 10.7270/Q20P138Q
					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	0.194	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
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298756 ((5S,8S,11S,14S,17R)-11-(4-aminobutyl)-5,8-bis(hydr...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)N(C)C(=O)OCc1ccccc1)B(O)O |r| Show InChI InChI=1S/C32H55BN6O10/c1-20(2)15-24(29(43)38-27(33(47)48)16-21(3)4)36-28(42)23(13-9-10-14-34)35-30(44)25(17-40)37-31(45)26(18-41)39(5)32(46)49-19-22-11-7-6-8-12-22/h6-8,11-12,20-21,23-27,40-41,47-48H,9-10,13-19,34H2,1-5H3,(H,35,44)(H,36,42)(H,37,45)(H,38,43)/t23-,24-,25-,26-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					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))	BDBM456920 (US10736974, Entry 23) Show SMILES CSc1ccc(cc1)C(=O)NCCCC(=O)N[C@H](CNC(=O)N[C@@H](CCC(O)=O)C(O)=O)OC=O |r| Show InChI InChI=1S/C21H28N4O9S/c1-35-14-6-4-13(5-7-14)19(30)22-10-2-3-16(27)25-17(34-12-26)11-23-21(33)24-15(20(31)32)8-9-18(28)29/h4-7,12,15,17H,2-3,8-11H2,1H3,(H,22,30)(H,25,27)(H,28,29)(H,31,32)(H2,23,24,33)/t15-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE JOHNS HOPKINS UNIVERSITY US Patent					Assay Description The PSMA inhibitory activity was determined using a modification of the fluorescence-based Amplex Red Glutamic Acid Assay. Briefly, lysates of LNCaP ...				US Patent US10736974 (2020) BindingDB Entry DOI: 10.7270/Q29C71GJ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM578392 (US11478558, Compound L2) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(I)cc1)C(=O)CCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(O)=O)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.265	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TBD				Citation and Details BindingDB Entry DOI: 10.7270/Q20P138Q
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM578394 (US11478558, Compound L4) Show SMILES OC(=O)CC[C@@H](NC(=O)N[C@H](CCCCN(Cc1ccc(I)cc1)C(=O)CCCCCNC(=O)c1ccc(CNC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)cc1)C(O)=O)C(O)=O |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.265	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TBD				Citation and Details BindingDB Entry DOI: 10.7270/Q20P138Q
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM456925 (US10736974, Compound YC-I-26) Show SMILES OC(=O)CC[C@H](NC(=O)NC[C@@H](NC(=O)CCCNC(=O)c1ccc(F)cc1)OC=O)C(O)=O |r| Show InChI InChI=1S/C20H25FN4O9/c21-13-5-3-12(4-6-13)18(30)22-9-1-2-15(27)25-16(34-11-26)10-23-20(33)24-14(19(31)32)7-8-17(28)29/h3-6,11,14,16H,1-2,7-10H2,(H,22,30)(H,25,27)(H,28,29)(H,31,32)(H2,23,24,33)/t14-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE JOHNS HOPKINS UNIVERSITY US Patent					Assay Description The PSMA inhibitory activity was determined using a modification of the fluorescence-based Amplex Red Glutamic Acid Assay. Briefly, lysates of LNCaP ...				US Patent US10736974 (2020) BindingDB Entry DOI: 10.7270/Q29C71GJ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM456914 (US10736974, Compound XY-43 | US10736974, Entry 17) Show SMILES OC(=O)CC[C@H](NC(=O)O[C@@H](CCCCNC(=O)c1ccc(I)cc1F)OC=O)C(O)=O |r| Show InChI InChI=1S/C19H22FIN2O9/c20-13-9-11(21)4-5-12(13)17(27)22-8-2-1-3-16(31-10-24)32-19(30)23-14(18(28)29)6-7-15(25)26/h4-5,9-10,14,16H,1-3,6-8H2,(H,22,27)(H,23,30)(H,25,26)(H,28,29)/t14-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE JOHNS HOPKINS UNIVERSITY US Patent					Assay Description The PSMA inhibitory activity was determined using a modification of the fluorescence-based Amplex Red Glutamic Acid Assay. Briefly, lysates of LNCaP ...				US Patent US10736974 (2020) BindingDB Entry DOI: 10.7270/Q29C71GJ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM456914 (US10736974, Compound XY-43 | US10736974, Entry 17) Show SMILES OC(=O)CC[C@H](NC(=O)O[C@@H](CCCCNC(=O)c1ccc(I)cc1F)OC=O)C(O)=O |r| Show InChI InChI=1S/C19H22FIN2O9/c20-13-9-11(21)4-5-12(13)17(27)22-8-2-1-3-16(31-10-24)32-19(30)23-14(18(28)29)6-7-15(25)26/h4-5,9-10,14,16H,1-3,6-8H2,(H,22,27)(H,23,30)(H,25,26)(H,28,29)/t14-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE JOHNS HOPKINS UNIVERSITY US Patent					Assay Description The PSMA inhibitory activity was determined using a modification of the fluorescence-based Amplex Red Glutamic Acid Assay. Briefly, lysates of LNCaP ...				US Patent US10736974 (2020) BindingDB Entry DOI: 10.7270/Q29C71GJ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM456927 (US10736974, Compound C8) Show SMILES OC(=O)CC[C@H](NC(=O)NCCCCCNC(=O)c1cncc(I)c1)C(O)=O |r| Show InChI InChI=1S/C17H23IN4O6/c18-12-8-11(9-19-10-12)15(25)20-6-2-1-3-7-21-17(28)22-13(16(26)27)4-5-14(23)24/h8-10,13H,1-7H2,(H,20,25)(H,23,24)(H,26,27)(H2,21,22,28)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE JOHNS HOPKINS UNIVERSITY US Patent					Assay Description The PSMA inhibitory activity was determined using a modification of the fluorescence-based Amplex Red Glutamic Acid Assay. Briefly, lysates of LNCaP ...				US Patent US10736974 (2020) BindingDB Entry DOI: 10.7270/Q29C71GJ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50246935 ((S)-2-(3-((S)-1-carboxy-5-(3-iodonicotinamido)pent...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1cncc(I)c1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C18H23IN4O8/c19-11-7-10(8-20-9-11)15(26)21-6-2-1-3-12(16(27)28)22-18(31)23-13(17(29)30)4-5-14(24)25/h7-9,12-13H,1-6H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t12-,13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.351	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))	BDBM456921 (US10736974, Entry 24) Show SMILES OC(=O)CC[C@H](NC(=O)NC[C@@H](NC(=O)CCCNC(=O)c1ccc(cc1F)-c1ccccc1)OC=O)C(O)=O |r| Show InChI InChI=1S/C26H29FN4O9/c27-19-13-17(16-5-2-1-3-6-16)8-9-18(19)24(36)28-12-4-7-21(33)31-22(40-15-32)14-29-26(39)30-20(25(37)38)10-11-23(34)35/h1-3,5-6,8-9,13,15,20,22H,4,7,10-12,14H2,(H,28,36)(H,31,33)(H,34,35)(H,37,38)(H2,29,30,39)/t20-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE JOHNS HOPKINS UNIVERSITY US Patent					Assay Description The PSMA inhibitory activity was determined using a modification of the fluorescence-based Amplex Red Glutamic Acid Assay. Briefly, lysates of LNCaP ...				US Patent US10736974 (2020) BindingDB Entry DOI: 10.7270/Q29C71GJ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM578391 (US11478558, Compound 3) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCCCNC(=S)Nc1ccc(CC2CN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CCN2CC(O)=O)cc1)C(O)=O)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TBD				Citation and Details BindingDB Entry DOI: 10.7270/Q20P138Q
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM578395 (US11478558, Compound L5) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(Br)cc1)C(=O)CCCCCCC(=O)NCCCCNC(=O)c1ccc(CNC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)cc1)C(O)=O)C(O)=O |r,$;;;;;;;;;;;;;;;;;;;;;Br;;;;;;;;;;;;;N;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.545	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TBD				Citation and Details BindingDB Entry DOI: 10.7270/Q20P138Q
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM578397 (US11478558, Compound L7) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCCCNC(=S)Nc1ccc(CC2CN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CCN2CC(O)=O)cc1)C(O)=O)C(O)=O |r,$;;;;;;;;;;;;;;;;;;;;;;N;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TBD				Citation and Details BindingDB Entry DOI: 10.7270/Q20P138Q
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50246935 ((S)-2-(3-((S)-1-carboxy-5-(3-iodonicotinamido)pent...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1cncc(I)c1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C18H23IN4O8/c19-11-7-10(8-20-9-11)15(26)21-6-2-1-3-12(16(27)28)22-18(31)23-13(17(29)30)4-5-14(24)25/h7-9,12-13H,1-6H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t12-,13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.557	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))	BDBM578396 (US11478558, Compound L6) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(I)cc1)C(=O)CCCCCCC(=O)NCCCCNC(=O)c1ccc(CNC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)cc1)C(O)=O)C(O)=O |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TBD				Citation and Details BindingDB Entry DOI: 10.7270/Q20P138Q
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50304738 (2-(3-((S)-1-carboxy-3-methylbutyl)ureido)pentanedi...) Show SMILES CC(C)C[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C12H20N2O7/c1-6(2)5-8(11(19)20)14-12(21)13-7(10(17)18)3-4-9(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)(H2,13,14,21)/t7-,8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institutions Curated by ChEMBL					Assay Description Inhibition of human cloned glutamate carboxypeptidase 2				Bioorg Med Chem Lett 20: 392-7 (2010) Article DOI: 10.1016/j.bmcl.2009.10.061 BindingDB Entry DOI: 10.7270/Q2SN092X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM578400 (US11478558, Compound L10) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(Br)cc1)C(=O)[C@H]1CC[C@H](CNC(=O)CCC(N2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)C(O)=O)CC1)C(O)=O)C(O)=O |r,wU:29.30,10.9,wD:5.5,26.26,(18.53,-5.21,;17.2,-5.98,;17.2,-7.52,;15.87,-5.21,;14.53,-5.98,;13.2,-5.21,;11.87,-5.98,;10.53,-5.21,;10.53,-3.67,;9.2,-5.98,;7.86,-5.21,;6.53,-5.98,;5.2,-5.21,;3.86,-5.98,;2.53,-5.21,;1.2,-5.98,;1.2,-7.52,;2.53,-8.29,;2.53,-9.83,;3.86,-10.6,;5.2,-9.83,;6.53,-10.6,;5.2,-8.29,;3.86,-7.52,;-.14,-5.21,;-.14,-3.67,;-1.47,-5.98,;-2.8,-5.21,;-4.14,-5.98,;-4.14,-7.52,;-5.47,-8.29,;-6.81,-7.52,;-8.14,-8.29,;-9.47,-7.52,;-8.14,-9.83,;-9.47,-10.6,;-9.47,-12.14,;-10.81,-12.91,;-10.81,-14.45,;-12.14,-15.22,;-12.14,-16.76,;-10.81,-17.53,;-9.47,-16.76,;-8.14,-17.53,;-9.47,-15.22,;-13.47,-17.53,;-14.81,-16.76,;-14.81,-15.22,;-16.14,-15.99,;-16.14,-17.53,;-17.48,-18.3,;-14.81,-18.3,;-16.14,-14.45,;-16.14,-12.91,;-14.81,-12.14,;-14.81,-10.6,;-16.14,-9.83,;-17.48,-10.6,;-16.14,-8.29,;-13.47,-12.91,;-12.14,-12.14,;-8.14,-12.91,;-8.14,-14.45,;-6.81,-12.14,;-2.8,-8.29,;-1.47,-7.52,;7.86,-3.67,;9.2,-2.9,;6.53,-2.9,;13.2,-3.67,;14.53,-2.9,;11.87,-2.9,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.815	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TBD				Citation and Details BindingDB Entry DOI: 10.7270/Q20P138Q
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM456906 (US10736974, Compound XY-26 | US10736974, Entry 9) Show SMILES OC(=O)CC[C@H](NC(=O)O[C@@H](CCCCNC(=O)c1ccc(I)cc1)OC=O)C(O)=O |r| Show InChI InChI=1S/C19H23IN2O9/c20-13-6-4-12(5-7-13)17(26)21-10-2-1-3-16(30-11-23)31-19(29)22-14(18(27)28)8-9-15(24)25/h4-7,11,14,16H,1-3,8-10H2,(H,21,26)(H,22,29)(H,24,25)(H,27,28)/t14-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE JOHNS HOPKINS UNIVERSITY US Patent					Assay Description The PSMA inhibitory activity was determined using a modification of the fluorescence-based Amplex Red Glutamic Acid Assay. Briefly, lysates of LNCaP ...				US Patent US10736974 (2020) BindingDB Entry DOI: 10.7270/Q29C71GJ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM456906 (US10736974, Compound XY-26 | US10736974, Entry 9) Show SMILES OC(=O)CC[C@H](NC(=O)O[C@@H](CCCCNC(=O)c1ccc(I)cc1)OC=O)C(O)=O |r| Show InChI InChI=1S/C19H23IN2O9/c20-13-6-4-12(5-7-13)17(26)21-10-2-1-3-16(30-11-23)31-19(29)22-14(18(27)28)8-9-15(24)25/h4-7,11,14,16H,1-3,8-10H2,(H,21,26)(H,22,29)(H,24,25)(H,27,28)/t14-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE JOHNS HOPKINS UNIVERSITY US Patent					Assay Description The PSMA inhibitory activity was determined using a modification of the fluorescence-based Amplex Red Glutamic Acid Assay. Briefly, lysates of LNCaP ...				US Patent US10736974 (2020) BindingDB Entry DOI: 10.7270/Q29C71GJ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM456926 (US10736974, Compound DCFPyL) Show SMILES OC(=O)CC[C@H](NC(=O)NCCCCCNC(=O)c1ccc(F)nc1)C(O)=O |r| Show InChI InChI=1S/C17H23FN4O6/c18-13-6-4-11(10-21-13)15(25)19-8-2-1-3-9-20-17(28)22-12(16(26)27)5-7-14(23)24/h4,6,10,12H,1-3,5,7-9H2,(H,19,25)(H,23,24)(H,26,27)(H2,20,22,28)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE JOHNS HOPKINS UNIVERSITY US Patent					Assay Description The PSMA inhibitory activity was determined using a modification of the fluorescence-based Amplex Red Glutamic Acid Assay. Briefly, lysates of LNCaP ...				US Patent US10736974 (2020) BindingDB Entry DOI: 10.7270/Q29C71GJ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM578389 (US11478558, Compound 1) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(Br)cc1)C(=O)CCCCNC(=S)Nc1ccc(CC2CN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CCN2CC(O)=O)cc1)C(O)=O)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TBD				Citation and Details BindingDB Entry DOI: 10.7270/Q20P138Q
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM578390 (US11478558, Compound 2) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(Br)cc1)C(=O)CCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(O)=O)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TBD				Citation and Details BindingDB Entry DOI: 10.7270/Q20P138Q
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM578401 (US11478558, Compound L12) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(Br)cc1)C(=O)c1ccc(CNC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)cc1)C(O)=O)C(O)=O |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TBD				Citation and Details BindingDB Entry DOI: 10.7270/Q20P138Q
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298754 ((5S,8S,11S,14S,17R)-11-(4-aminobutyl)-5,8-bis(hydr...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)N(C)C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)B(O)O |r| Show InChI InChI=1S/C32H55BN6O10/c1-20(2)15-23(28(42)38-27(33(47)48)16-21(3)4)35-30(44)26(13-9-10-14-34)39(5)31(45)25(18-41)36-29(43)24(17-40)37-32(46)49-19-22-11-7-6-8-12-22/h6-8,11-12,20-21,23-27,40-41,47-48H,9-10,13-19,34H2,1-5H3,(H,35,44)(H,36,43)(H,37,46)(H,38,42)/t23-,24-,25-,26-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298760 (CHEMBL574766 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C=O |r| Show InChI InChI=1S/C32H52N6O9/c1-4-5-13-24(28(42)34-23(17-39)16-21(2)3)35-29(43)25(14-9-10-15-33)36-30(44)26(18-40)37-31(45)27(19-41)38-32(46)47-20-22-11-7-6-8-12-22/h6-8,11-12,17,21,23-27,40-41H,4-5,9-10,13-16,18-20,33H2,1-3H3,(H,34,42)(H,35,43)(H,36,44)(H,37,45)(H,38,46)/t23-,24-,25-,26-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298738 (CHEMBL583783 | benzyl(2S,5S,8S,11S,14S)-8-(3-amino...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C31H48N6O10/c1-18(2)12-21(14-38)33-28(43)23(13-19(3)4)35-27(42)22(10-11-26(32)41)34-29(44)24(15-39)36-30(45)25(16-40)37-31(46)47-17-20-8-6-5-7-9-20/h5-9,14,18-19,21-25,39-40H,10-13,15-17H2,1-4H3,(H2,32,41)(H,33,43)(H,34,44)(H,35,42)(H,36,45)(H,37,46)/t21-,22-,23-,24-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM578402 (US11478558, Compound L13) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(Br)nc1)C(=O)CCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(O)=O)C(O)=O |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TBD				Citation and Details BindingDB Entry DOI: 10.7270/Q20P138Q
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298761 (CHEMBL574788 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C=O |r| Show InChI InChI=1S/C31H50N6O9/c1-4-10-23(27(41)33-22(16-38)15-20(2)3)34-28(42)24(13-8-9-14-32)35-29(43)25(17-39)36-30(44)26(18-40)37-31(45)46-19-21-11-6-5-7-12-21/h5-7,11-12,16,20,22-26,39-40H,4,8-10,13-15,17-19,32H2,1-3H3,(H,33,41)(H,34,42)(H,35,43)(H,36,44)(H,37,45)/t22-,23-,24-,25-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM456908 (US10736974, Compound XY-28 | US10736974, Entry 11) Show SMILES CSc1ccc(cc1)C(=O)NCCCC[C@@H](OC=O)OC(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H26N2O9S/c1-32-14-7-5-13(6-8-14)18(26)21-11-3-2-4-17(30-12-23)31-20(29)22-15(19(27)28)9-10-16(24)25/h5-8,12,15,17H,2-4,9-11H2,1H3,(H,21,26)(H,22,29)(H,24,25)(H,27,28)/t15-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE JOHNS HOPKINS UNIVERSITY US Patent					Assay Description The PSMA inhibitory activity was determined using a modification of the fluorescence-based Amplex Red Glutamic Acid Assay. Briefly, lysates of LNCaP ...				US Patent US10736974 (2020) BindingDB Entry DOI: 10.7270/Q29C71GJ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM456908 (US10736974, Compound XY-28 | US10736974, Entry 11) Show SMILES CSc1ccc(cc1)C(=O)NCCCC[C@@H](OC=O)OC(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H26N2O9S/c1-32-14-7-5-13(6-8-14)18(26)21-11-3-2-4-17(30-12-23)31-20(29)22-15(19(27)28)9-10-16(24)25/h5-8,12,15,17H,2-4,9-11H2,1H3,(H,21,26)(H,22,29)(H,24,25)(H,27,28)/t15-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE JOHNS HOPKINS UNIVERSITY US Patent					Assay Description The PSMA inhibitory activity was determined using a modification of the fluorescence-based Amplex Red Glutamic Acid Assay. Briefly, lysates of LNCaP ...				US Patent US10736974 (2020) BindingDB Entry DOI: 10.7270/Q29C71GJ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50304731 ((S)-2-(3-((S)-1-Carboxy-2-(furan-2-yl)ethyl)ureido...) Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](Cc1ccco1)C(O)=O |r| Show InChI InChI=1S/C21H24IN3O7/c22-14-8-6-13(7-9-14)18(26)23-10-2-1-5-16(19(27)28)24-21(31)25-17(20(29)30)12-15-4-3-11-32-15/h3-4,6-9,11,16-17H,1-2,5,10,12H2,(H,23,26)(H,27,28)(H,29,30)(H2,24,25,31)/t16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institutions Curated by ChEMBL					Assay Description Inhibition of human cloned glutamate carboxypeptidase 2				Bioorg Med Chem Lett 20: 392-7 (2010) Article DOI: 10.1016/j.bmcl.2009.10.061 BindingDB Entry DOI: 10.7270/Q2SN092X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50304722 ((S)-2-(3-((S)-1-Carboxybut-3-ynyl)ureido)-6-(4-iod...) Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](CC#C)C(O)=O |r| Show InChI InChI=1S/C19H22IN3O6/c1-2-5-14(17(25)26)22-19(29)23-15(18(27)28)6-3-4-11-21-16(24)12-7-9-13(20)10-8-12/h1,7-10,14-15H,3-6,11H2,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institutions Curated by ChEMBL					Assay Description Inhibition of human cloned glutamate carboxypeptidase 2				Bioorg Med Chem Lett 20: 392-7 (2010) Article DOI: 10.1016/j.bmcl.2009.10.061 BindingDB Entry DOI: 10.7270/Q2SN092X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298757 ((5S,8S,11S,14S,17R)-11-(4-aminobutyl)-5,8-bis(hydr...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)N(C)C(=O)[C@H](CO)NC(=O)[C@H](CO)N(C)C(=O)OCc1ccccc1)B(O)O |r| Show InChI InChI=1S/C33H57BN6O10/c1-21(2)16-24(29(43)38-28(34(48)49)17-22(3)4)36-30(44)26(14-10-11-15-35)39(5)32(46)25(18-41)37-31(45)27(19-42)40(6)33(47)50-20-23-12-8-7-9-13-23/h7-9,12-13,21-22,24-28,41-42,48-49H,10-11,14-20,35H2,1-6H3,(H,36,44)(H,37,45)(H,38,43)/t24-,25-,26-,27-,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM456900 (US10736974, Entry 7) Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)NCCCC[C@@H](OC=O)OC(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C26H30N2O10/c1-36-20-11-9-18(10-12-20)17-5-7-19(8-6-17)24(32)27-15-3-2-4-23(37-16-29)38-26(35)28-21(25(33)34)13-14-22(30)31/h5-12,16,21,23H,2-4,13-15H2,1H3,(H,27,32)(H,28,35)(H,30,31)(H,33,34)/t21-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE JOHNS HOPKINS UNIVERSITY US Patent					Assay Description The PSMA inhibitory activity was determined using a modification of the fluorescence-based Amplex Red Glutamic Acid Assay. Briefly, lysates of LNCaP ...				US Patent US10736974 (2020) BindingDB Entry DOI: 10.7270/Q29C71GJ
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298762 (CHEMBL574924 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C32H52N6O9/c1-20(2)14-23(16-39)34-29(43)25(15-21(3)4)36-28(42)24(12-8-9-13-33)35-30(44)26(17-40)37-31(45)27(18-41)38-32(46)47-19-22-10-6-5-7-11-22/h5-7,10-11,16,20-21,23-27,40-41H,8-9,12-15,17-19,33H2,1-4H3,(H,34,43)(H,35,44)(H,36,42)(H,37,45)(H,38,46)/t23-,24-,25-,26-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298739 (CHEMBL583784 | benzyl(2S,5S,8S,11S,14S)-14-formyl-...) Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C=O |r| Show InChI InChI=1S/C31H49N5O9S/c1-19(2)13-22(15-37)32-28(41)24(14-20(3)4)34-27(40)23(11-12-46-5)33-29(42)25(16-38)35-30(43)26(17-39)36-31(44)45-18-21-9-7-6-8-10-21/h6-10,15,19-20,22-26,38-39H,11-14,16-18H2,1-5H3,(H,32,41)(H,33,42)(H,34,40)(H,35,43)(H,36,44)/t22-,23-,24-,25-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM456911 (US10736974, Entry 14) Show SMILES OC(=O)CC[C@H](NC(=O)O[C@@H](CCCCNC(=O)c1ccc(SCCF)cc1)OC=O)C(O)=O |r| Show InChI InChI=1S/C21H27FN2O9S/c22-10-12-34-15-6-4-14(5-7-15)19(28)23-11-2-1-3-18(32-13-25)33-21(31)24-16(20(29)30)8-9-17(26)27/h4-7,13,16,18H,1-3,8-12H2,(H,23,28)(H,24,31)(H,26,27)(H,29,30)/t16-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE JOHNS HOPKINS UNIVERSITY US Patent					Assay Description The PSMA inhibitory activity was determined using a modification of the fluorescence-based Amplex Red Glutamic Acid Assay. Briefly, lysates of LNCaP ...				US Patent US10736974 (2020) BindingDB Entry DOI: 10.7270/Q29C71GJ
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298740 (CHEMBL574324 | benzyl(2S,5S,8S,11S,14S)-14-formyl-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C30H47N5O10/c1-18(2)12-21(14-37)31-27(41)23(13-19(3)4)33-26(40)22(10-11-36)32-28(42)24(15-38)34-29(43)25(16-39)35-30(44)45-17-20-8-6-5-7-9-20/h5-9,14,18-19,21-25,36,38-39H,10-13,15-17H2,1-4H3,(H,31,41)(H,32,42)(H,33,40)(H,34,43)(H,35,44)/t21-,22-,23-,24-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair

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