Compile Data Set for Download or QSAR

Found 234 hits with Last Name = 'delahanty' and Initial = 'g'   

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
Eisai Research Institute Curated by ChEMBL					Assay Description Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G				Bioorg Med Chem Lett 20: 7222-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.109 BindingDB Entry DOI: 10.7270/Q2GB24B9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM17659 ((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...) Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against glutamate carboxypeptidase II (GCP II) using N-acetyl-L-aspartyl-[3H]-L-glutamate as a substrate				J Med Chem 46: 1989-96 (2003) Article DOI: 10.1021/jm020515w BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50109593 (2-Benzyl-3-mercapto-propionic acid | 2-Mercaptomet...) Show SMILES OC(=O)C(CS)Cc1ccccc1 Show InChI InChI=1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against glutamate carboxypeptidase II (GCP II) using N-acetyl-L-aspartyl-[3H]-L-glutamate as a substrate				J Med Chem 46: 1989-96 (2003) Article DOI: 10.1021/jm020515w BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM108460 (CHEMBL2178393 | US11191732, Example 1 | US8604016,...) Show SMILES Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1 Show InChI InChI=1S/C16H18N6OS3/c17-15-21-19-13(25-15)6-8-24-9-7-14-20-22-16(26-14)18-12(23)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,17,21)(H,18,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Uncompetitive inhibition of human kidney glutaminase (124 to 669) assessed as reduction of glutamine hydrolysis by double-reciprocal plot analysis				J Med Chem 55: 10551-63 (2012) Article DOI: 10.1021/jm301191p BindingDB Entry DOI: 10.7270/Q2VD70M7
					More data for this Ligand-Target Pair
Cytidine deaminase (Homo sapiens (Human))	BDBM50007037 (CHEBI:23774 | CHEMBL3237555) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CCC(=O)NC1=O |r| Show InChI InChI=1S/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human cytidine deaminase by spectrophotometrically				J Med Chem 57: 2582-8 (2014) Article DOI: 10.1021/jm401856k BindingDB Entry DOI: 10.7270/Q2NK3GJG
					More data for this Ligand-Target Pair
Cytidine deaminase (Homo sapiens (Human))	BDBM50007025 (TETRAHYDROURIDINE) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CC[C@@H](O)NC1=O |r| Show InChI InChI=1S/C9H16N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4-8,12-15H,1-3H2,(H,10,16)/t4-,5-,6-,7-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human cytidine deaminase by spectrophotometrically				J Med Chem 57: 2582-8 (2014) Article DOI: 10.1021/jm401856k BindingDB Entry DOI: 10.7270/Q2NK3GJG
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 [44-750] (Homo sapiens (Human))	BDBM17659 ((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...) Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.4	37
MGI Pharma					Assay Description GCPII activity in vitro is monitored through the hydrolysis [3H]NAAG to NAA and [3H]Glu. The radioactivity-based assay was miniaturized to a 96-well ...				J Med Chem 49: 2876-85 (2006) Article DOI: 10.1021/jm051019l BindingDB Entry DOI: 10.7270/Q28C9TJD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM17659 ((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...) Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of N-acetyl-L-aspartyl-[3H]-L-glutamate binding to glutamate carboxypeptidase II (GCP II)				J Med Chem 46: 1989-96 (2003) Article DOI: 10.1021/jm020515w BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50392045 (CHEMBL2152561) Show SMILES OC(=O)c1cccc(c1)-c1cccc(CCS)c1C(O)=O Show InChI InChI=1S/C16H14O4S/c17-15(18)12-5-1-4-11(9-12)13-6-2-3-10(7-8-21)14(13)16(19)20/h1-6,9,21H,7-8H2,(H,17,18)(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50392040 (CHEMBL2152556) Show SMILES OC(=O)c1cccc(COc2ccc(CS)cc2C(O)=O)c1 Show InChI InChI=1S/C16H14O5S/c17-15(18)12-3-1-2-10(6-12)8-21-14-5-4-11(9-22)7-13(14)16(19)20/h1-7,22H,8-9H2,(H,17,18)(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139633 (US8894989, 11) Show SMILES Fc1ccc(cc1)C1=CCN(Cc2nc3cccc4c3c(n[nH]c4=O)[nH]2)CC1 |t:8| Show InChI InChI=1S/C21H18FN5O/c22-15-6-4-13(5-7-15)14-8-10-27(11-9-14)12-18-23-17-3-1-2-16-19(17)20(24-18)25-26-21(16)28/h1-8H,9-12H2,(H,26,28)(H,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50392046 (CHEMBL2152562) Show SMILES OC(=O)c1ccc(cc1)-c1cccc(CCS)c1C(O)=O Show InChI InChI=1S/C16H14O4S/c17-15(18)12-6-4-10(5-7-12)13-3-1-2-11(8-9-21)14(13)16(19)20/h1-7,21H,8-9H2,(H,17,18)(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139634 (US8894989, 12) Show SMILES Clc1ccc(cc1)N1CCN(Cc2nc3cccc4c3c(n[nH]c4=O)[nH]2)CC1 Show InChI InChI=1S/C20H19ClN6O/c21-13-4-6-14(7-5-13)27-10-8-26(9-11-27)12-17-22-16-3-1-2-15-18(16)19(23-17)24-25-20(15)28/h1-7H,8-12H2,(H,25,28)(H,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139689 (US8894989, 76) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NCc1nc2cccc3c2c(n[nH]c3=O)[nH]1 Show InChI InChI=1S/C17H12N6O4/c24-16(9-4-6-10(7-5-9)23(26)27)18-8-13-19-12-3-1-2-11-14(12)15(20-13)21-22-17(11)25/h1-7H,8H2,(H,18,24)(H,22,25)(H,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139667 (US8894989, 46) Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCCN(Cc2nc3cccc4c3c(n[nH]c4=O)[nH]2)CC1 Show InChI InChI=1S/C22H21F3N6O3S/c23-22(24,25)14-4-1-5-15(12-14)35(33,34)31-9-3-8-30(10-11-31)13-18-26-17-7-2-6-16-19(17)20(27-18)28-29-21(16)32/h1-2,4-7,12H,3,8-11,13H2,(H,29,32)(H,26,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139658 (US8894989, 37) Show SMILES O=c1[nH]nc2[nH]c(CN3Cc4ccccc4C3)nc3cccc1c23 Show InChI InChI=1S/C18H15N5O/c24-18-13-6-3-7-14-16(13)17(21-22-18)20-15(19-14)10-23-8-11-4-1-2-5-12(11)9-23/h1-7H,8-10H2,(H,22,24)(H,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139635 (US8894989, 13) Show SMILES O=c1[nH]nc2[nH]c(CN3CCC(=CC3)c3ccccc3)nc3cccc1c23 |c:11| Show InChI InChI=1S/C21H19N5O/c27-21-16-7-4-8-17-19(16)20(24-25-21)23-18(22-17)13-26-11-9-15(10-12-26)14-5-2-1-3-6-14/h1-9H,10-13H2,(H,25,27)(H,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139676 (US8894989, 58) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(Cc2nc3cccc4c3c(n[nH]c4=O)[nH]2)CC1 Show InChI InChI=1S/C24H28N6O3S/c1-24(2,3)16-7-9-17(10-8-16)34(32,33)30-13-11-29(12-14-30)15-20-25-19-6-4-5-18-21(19)22(26-20)27-28-23(18)31/h4-10H,11-15H2,1-3H3,(H,28,31)(H,25,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139651 (US8894989, 30) Show SMILES O=c1[nH]nc2[nH]c(CN3CCN(CC3)c3ccccn3)nc3cccc1c23 Show InChI InChI=1S/C19H19N7O/c27-19-13-4-3-5-14-17(13)18(23-24-19)22-15(21-14)12-25-8-10-26(11-9-25)16-6-1-2-7-20-16/h1-7H,8-12H2,(H,24,27)(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139663 (US8894989, 42) Show SMILES O=c1[nH]nc2[nH]c(CN3CCC(CC3)c3c[nH]c4ccccc34)nc3cccc1c23 Show InChI InChI=1S/C23H22N6O/c30-23-16-5-3-7-19-21(16)22(27-28-23)26-20(25-19)13-29-10-8-14(9-11-29)17-12-24-18-6-2-1-4-15(17)18/h1-7,12,14,24H,8-11,13H2,(H,28,30)(H,25,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139672 (US8894989, 54) Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCN(Cc2nc3cccc4c3c(n[nH]c4=O)[nH]2)CC1 Show InChI InChI=1S/C21H19F3N6O3S/c22-21(23,24)13-3-1-4-14(11-13)34(32,33)30-9-7-29(8-10-30)12-17-25-16-6-2-5-15-18(16)19(26-17)27-28-20(15)31/h1-6,11H,7-10,12H2,(H,28,31)(H,25,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 [44-750] (Homo sapiens (Human))	BDBM17775 (3-(1-carboxy-4-sulfanylbutoxy)benzoic acid | Thiol...) Show SMILES OC(=O)C(CCCS)Oc1cccc(c1)C(O)=O Show InChI InChI=1S/C12H14O5S/c13-11(14)8-3-1-4-9(7-8)17-10(12(15)16)5-2-6-18/h1,3-4,7,10,18H,2,5-6H2,(H,13,14)(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	7.4	37
MGI Pharma					Assay Description GCPII activity in vitro is monitored through the hydrolysis [3H]NAAG to NAA and [3H]Glu. The radioactivity-based assay was miniaturized to a 96-well ...				J Med Chem 49: 2876-85 (2006) Article DOI: 10.1021/jm051019l BindingDB Entry DOI: 10.7270/Q28C9TJD
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 [44-750] (Homo sapiens (Human))	BDBM17762 (3-[2-carboxy-2-(3-sulfanylpropyl)ethyl]benzoic aci...) Show SMILES OC(=O)C(CCCS)Cc1cccc(c1)C(O)=O Show InChI InChI=1S/C13H16O4S/c14-12(15)10-4-1-3-9(7-10)8-11(13(16)17)5-2-6-18/h1,3-4,7,11,18H,2,5-6,8H2,(H,14,15)(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.4	37
MGI Pharma					Assay Description GCPII activity in vitro is monitored through the hydrolysis [3H]NAAG to NAA and [3H]Glu. The radioactivity-based assay was miniaturized to a 96-well ...				J Med Chem 49: 2876-85 (2006) Article DOI: 10.1021/jm051019l BindingDB Entry DOI: 10.7270/Q28C9TJD
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM17762 (3-[2-carboxy-2-(3-sulfanylpropyl)ethyl]benzoic aci...) Show SMILES OC(=O)C(CCCS)Cc1cccc(c1)C(O)=O Show InChI InChI=1S/C13H16O4S/c14-12(15)10-4-1-3-9(7-10)8-11(13(16)17)5-2-6-18/h1,3-4,7,11,18H,2,5-6,8H2,(H,14,15)(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139660 (US8894989, 39) Show SMILES O=c1[nH]nc2[nH]c(CN3CCN(CC3)c3ccncc3)nc3cccc1c23 Show InChI InChI=1S/C19H19N7O/c27-19-14-2-1-3-15-17(14)18(23-24-19)22-16(21-15)12-25-8-10-26(11-9-25)13-4-6-20-7-5-13/h1-7H,8-12H2,(H,24,27)(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139682 (US8894989, 64) Show SMILES Nc1ccc(cc1)S(=O)(=O)N1CCCN(Cc2nc3cccc4c3c(n[nH]c4=O)[nH]2)CC1 Show InChI InChI=1S/C21H23N7O3S/c22-14-5-7-15(8-6-14)32(30,31)28-10-2-9-27(11-12-28)13-18-23-17-4-1-3-16-19(17)20(24-18)25-26-21(16)29/h1,3-8H,2,9-13,22H2,(H,26,29)(H,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139669 (US8894989, 51) Show SMILES Fc1cccc(c1)S(=O)(=O)N1CCN(Cc2nc3cccc4c3c(n[nH]c4=O)[nH]2)CC1 Show InChI InChI=1S/C20H19FN6O3S/c21-13-3-1-4-14(11-13)31(29,30)27-9-7-26(8-10-27)12-17-22-16-6-2-5-15-18(16)19(23-17)24-25-20(15)28/h1-6,11H,7-10,12H2,(H,25,28)(H,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM17762 (3-[2-carboxy-2-(3-sulfanylpropyl)ethyl]benzoic aci...) Show SMILES OC(=O)C(CCCS)Cc1cccc(c1)C(O)=O Show InChI InChI=1S/C13H16O4S/c14-12(15)10-4-1-3-9(7-10)8-11(13(16)17)5-2-6-18/h1,3-4,7,11,18H,2,5-6,8H2,(H,14,15)(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Research Institute Curated by ChEMBL					Assay Description Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G				Bioorg Med Chem Lett 20: 7222-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.109 BindingDB Entry DOI: 10.7270/Q2GB24B9
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50392041 (CHEMBL2152557) Show SMILES OC(=O)c1ccc(COc2ccc(CS)cc2C(O)=O)cc1 Show InChI InChI=1S/C16H14O5S/c17-15(18)12-4-1-10(2-5-12)8-21-14-6-3-11(9-22)7-13(14)16(19)20/h1-7,22H,8-9H2,(H,17,18)(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139640 (US8894989, 18) Show SMILES Clc1ccc(CCNCc2nc3cccc4c3c(n[nH]c4=O)[nH]2)cc1Cl Show InChI InChI=1S/C18H15Cl2N5O/c19-12-5-4-10(8-13(12)20)6-7-21-9-15-22-14-3-1-2-11-16(14)17(23-15)24-25-18(11)26/h1-5,8,21H,6-7,9H2,(H,25,26)(H,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139675 (US8894989, 57) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)N1CCN(Cc2nc3cccc4c3c(n[nH]c4=O)[nH]2)CC1 Show InChI InChI=1S/C23H26N6O3S/c1-15(2)16-6-8-17(9-7-16)33(31,32)29-12-10-28(11-13-29)14-20-24-19-5-3-4-18-21(19)22(25-20)26-27-23(18)30/h3-9,15H,10-14H2,1-2H3,(H,27,30)(H,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139636 (US8894989, 14) Show SMILES Clc1ccc(CNCc2nc3cccc4c3c(n[nH]c4=O)[nH]2)cc1Cl Show InChI InChI=1S/C17H13Cl2N5O/c18-11-5-4-9(6-12(11)19)7-20-8-14-21-13-3-1-2-10-15(13)16(22-14)23-24-17(10)25/h1-6,20H,7-8H2,(H,24,25)(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139641 (US8894989, 19) Show SMILES FC(F)(F)c1cccc(CCNCc2nc3cccc4c3c(n[nH]c4=O)[nH]2)c1 Show InChI InChI=1S/C19H16F3N5O/c20-19(21,22)12-4-1-3-11(9-12)7-8-23-10-15-24-14-6-2-5-13-16(14)17(25-15)26-27-18(13)28/h1-6,9,23H,7-8,10H2,(H,27,28)(H,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139673 (US8894989, 55) Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCN(Cc2nc3cccc4c3c(n[nH]c4=O)[nH]2)CC1 Show InChI InChI=1S/C20H19ClN6O3S/c21-13-4-6-14(7-5-13)31(29,30)27-10-8-26(9-11-27)12-17-22-16-3-1-2-15-18(16)19(23-17)24-25-20(15)28/h1-7H,8-12H2,(H,25,28)(H,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139677 (US8894989, 59 | US8894989, 63) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)N1CCCN(Cc2nc3cccc4c3c(n[nH]c4=O)[nH]2)CC1 Show InChI InChI=1S/C24H28N6O3S/c1-16(2)17-7-9-18(10-8-17)34(32,33)30-12-4-11-29(13-14-30)15-21-25-20-6-3-5-19-22(20)23(26-21)27-28-24(19)31/h3,5-10,16H,4,11-15H2,1-2H3,(H,28,31)(H,25,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139632 (US8894989, 10) Show SMILES O=c1[nH]nc2[nH]c(COc3ccccc3)nc3cccc1c23 Show InChI InChI=1S/C16H12N4O2/c21-16-11-7-4-8-12-14(11)15(19-20-16)18-13(17-12)9-22-10-5-2-1-3-6-10/h1-8H,9H2,(H,20,21)(H,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139657 (US8894989, 36) Show SMILES O=c1[nH]nc2[nH]c(CN3CCC(CC3)c3ccccc3)nc3cccc1c23 Show InChI InChI=1S/C21H21N5O/c27-21-16-7-4-8-17-19(16)20(24-25-21)23-18(22-17)13-26-11-9-15(10-12-26)14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H,25,27)(H,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM97556 (US8470825, 4b) Show SMILES COCCN1CCN(Cc2ccc3oc4cccc5c4c(n[nH]c5=O)c3c2)CC1 Show InChI InChI=1S/C22H24N4O3/c1-28-12-11-25-7-9-26(10-8-25)14-15-5-6-18-17(13-15)21-20-16(22(27)24-23-21)3-2-4-19(20)29-18/h2-6,13H,7-12,14H2,1H3,(H,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	8.0	25
Eisai Inc. US Patent					Assay Description PARP assay using purified recombinant human PARP from Trevigan.				US Patent US8470825 (2013) BindingDB Entry DOI: 10.7270/Q2DJ5D89
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139659 (US8894989, 38) Show SMILES O=c1[nH]nc2[nH]c(CN3CCCN(CC3)S(=O)(=O)c3ccccc3)nc3cccc1c23 Show InChI InChI=1S/C21H22N6O3S/c28-21-16-8-4-9-17-19(16)20(24-25-21)23-18(22-17)14-26-10-5-11-27(13-12-26)31(29,30)15-6-2-1-3-7-15/h1-4,6-9H,5,10-14H2,(H,25,28)(H,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139639 (US8894989, 17) Show SMILES O=c1[nH]nc2[nH]c(CN3CCC4(CC3)OCCO4)nc3cccc1c23 Show InChI InChI=1S/C17H19N5O3/c23-16-11-2-1-3-12-14(11)15(20-21-16)19-13(18-12)10-22-6-4-17(5-7-22)24-8-9-25-17/h1-3H,4-10H2,(H,21,23)(H,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM97558 (US8470825, 4d) Show SMILES O=C1CN(Cc2ccc3oc4cccc5c4c(n[nH]c5=O)c3c2)CCN1 Show InChI InChI=1S/C19H16N4O3/c24-16-10-23(7-6-20-16)9-11-4-5-14-13(8-11)18-17-12(19(25)22-21-18)2-1-3-15(17)26-14/h1-5,8H,6-7,9-10H2,(H,20,24)(H,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	8.0	25
Eisai Inc. US Patent					Assay Description PARP assay using purified recombinant human PARP from Trevigan.				US Patent US8470825 (2013) BindingDB Entry DOI: 10.7270/Q2DJ5D89
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139665 (US8894989, 44) Show SMILES O=c1[nH]nc2[nH]c(CN3CCc4ccccc4C3)nc3cccc1c23 Show InChI InChI=1S/C19H17N5O/c25-19-14-6-3-7-15-17(14)18(22-23-19)21-16(20-15)11-24-9-8-12-4-1-2-5-13(12)10-24/h1-7H,8-11H2,(H,23,25)(H,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139670 (US8894989, 52) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(Cc2nc3cccc4c3c(n[nH]c4=O)[nH]2)CC1 Show InChI InChI=1S/C21H22N6O3S/c1-14-5-7-15(8-6-14)31(29,30)27-11-9-26(10-12-27)13-18-22-17-4-2-3-16-19(17)20(23-18)24-25-21(16)28/h2-8H,9-13H2,1H3,(H,25,28)(H,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139638 (US8894989, 16) Show SMILES FC(F)(F)c1cccc(CNCc2nc3cccc4c3c(n[nH]c4=O)[nH]2)c1 Show InChI InChI=1S/C18H14F3N5O/c19-18(20,21)11-4-1-3-10(7-11)8-22-9-14-23-13-6-2-5-12-15(13)16(24-14)25-26-17(12)27/h1-7,22H,8-9H2,(H,26,27)(H,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139680 (US8894989, 62) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCN(Cc2nc3cccc4c3c(n[nH]c4=O)[nH]2)CC1 Show InChI InChI=1S/C22H24N6O4S/c1-32-15-6-8-16(9-7-15)33(30,31)28-11-3-10-27(12-13-28)14-19-23-18-5-2-4-17-20(18)21(24-19)25-26-22(17)29/h2,4-9H,3,10-14H2,1H3,(H,26,29)(H,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50332228 (1-(3-Carboxyphenyl)-3-(2-mercapto-ethyl)-1H-indole...) Show SMILES OC(=O)c1c(CCS)c2ccccc2n1-c1cccc(c1)C(O)=O Show InChI InChI=1S/C18H15NO4S/c20-17(21)11-4-3-5-12(10-11)19-15-7-2-1-6-13(15)14(8-9-24)16(19)18(22)23/h1-7,10,24H,8-9H2,(H,20,21)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Research Institute Curated by ChEMBL					Assay Description Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G				Bioorg Med Chem Lett 20: 7222-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.109 BindingDB Entry DOI: 10.7270/Q2GB24B9
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50332218 (1-[(3-carboxyphenyl)methyl]-3-(2-mercaptoethyl)-1H...) Show SMILES OC(=O)c1c(CCS)c2ccccc2n1Cc1cccc(c1)C(O)=O Show InChI InChI=1S/C19H17NO4S/c21-18(22)13-5-3-4-12(10-13)11-20-16-7-2-1-6-14(16)15(8-9-25)17(20)19(23)24/h1-7,10,25H,8-9,11H2,(H,21,22)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Research Institute Curated by ChEMBL					Assay Description Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G				Bioorg Med Chem Lett 20: 7222-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.109 BindingDB Entry DOI: 10.7270/Q2GB24B9
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50332217 (1-[(2-carboxyphenyl)methyl]-3-(2-mercaptoethyl)-1H...) Show SMILES OC(=O)c1c(CCS)c2ccccc2n1Cc1ccccc1C(O)=O Show InChI InChI=1S/C19H17NO4S/c21-18(22)13-6-2-1-5-12(13)11-20-16-8-4-3-7-14(16)15(9-10-25)17(20)19(23)24/h1-8,25H,9-11H2,(H,21,22)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Research Institute Curated by ChEMBL					Assay Description Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G				Bioorg Med Chem Lett 20: 7222-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.109 BindingDB Entry DOI: 10.7270/Q2GB24B9
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139683 (US8894989, 65) Show SMILES O=c1[nH]nc2[nH]c(CN3CCCN(CC3)S(=O)(=O)c3ccc(cc3)-c3ccccc3)nc3cccc1c23 Show InChI InChI=1S/C27H26N6O3S/c34-27-22-8-4-9-23-25(22)26(30-31-27)29-24(28-23)18-32-14-5-15-33(17-16-32)37(35,36)21-12-10-20(11-13-21)19-6-2-1-3-7-19/h1-4,6-13H,5,14-18H2,(H,31,34)(H,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50332228 (1-(3-Carboxyphenyl)-3-(2-mercapto-ethyl)-1H-indole...) Show SMILES OC(=O)c1c(CCS)c2ccccc2n1-c1cccc(c1)C(O)=O Show InChI InChI=1S/C18H15NO4S/c20-17(21)11-4-3-5-12(10-11)19-15-7-2-1-6-13(15)14(8-9-24)16(19)18(22)23/h1-7,10,24H,8-9H2,(H,20,21)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair

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