Compile Data Set for Download or QSAR

Found 290 hits with Last Name = 'hess' and Initial = 's'   

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
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50014295 (5,6-Dimethyl-2-phenyl-7-((R)-1-phenyl-ethyl)-7H-py...) Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C22H22N4/c1-14-15(2)26(16(3)17-10-6-4-7-11-17)22-19(14)20(23)24-21(25-22)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50051653 ((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES C[C@@H](Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H22N4/c1-14-15(2)23-21-19(14)22(24-16(3)17-10-6-4-7-11-17)26-20(25-21)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25,26)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094591 (5,6-Dimethyl-7-(1-phenyl-ethyl)-2-pyridin-4-yl-7H-...) Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccncc1 Show InChI InChI=1S/C21H21N5/c1-13-14(2)26(15(3)16-7-5-4-6-8-16)21-18(13)19(22)24-20(25-21)17-9-11-23-12-10-17/h4-12,15H,1-3H3,(H2,22,24,25)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor expressed in CHO cells using [3H]-CCPA				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Glutamate receptor 3 (Homo sapiens (Human))	BDBM50002370 ((R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-...) Show SMILES Cc1o[nH]c(=O)c1CC(N)C(O)=O Show InChI InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair
Glutamate receptor 3 (RAT)	BDBM85214 (glutamate-AMPA) Show SMILES Cc1o[nH]c(=O)c1C[C@H](N)C(O)=O |r| Show InChI InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid UniChem Patents Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094599 (2-Furan-2-yl-5,6-dimethyl-7-(1-phenyl-ethyl)-7H-py...) Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccco1 Show InChI InChI=1S/C20H20N4O/c1-12-13(2)24(14(3)15-8-5-4-6-9-15)20-17(12)18(21)22-19(23-20)16-10-7-11-25-16/h4-11,14H,1-3H3,(H2,21,22,23)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Glutamate receptor 3 (RAT)	BDBM50002370 ((R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-...) Show SMILES Cc1o[nH]c(=O)c1CC(N)C(O)=O Show InChI InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair
Glutamate receptor 3 (RAT)	BDBM50060635 ((S)-2-Amino-3-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-p...) Show SMILES N[C@@H](Cn1cc(F)c(=O)[nH]c1=O)C(O)=O |r| Show InChI InChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094589 (5,6-Dimethyl-7-(1-phenyl-ethyl)-2-thiophen-2-yl-7H...) Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cccs1 Show InChI InChI=1S/C20H20N4S/c1-12-13(2)24(14(3)15-8-5-4-6-9-15)20-17(12)18(21)22-19(23-20)16-10-7-11-25-16/h4-11,14H,1-3H3,(H2,21,22,23)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Glutamate receptor 3 (Homo sapiens (Human))	BDBM85214 (glutamate-AMPA) Show SMILES Cc1o[nH]c(=O)c1C[C@H](N)C(O)=O |r| Show InChI InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid UniChem Patents Similars	MMDB PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50260210 (4'-O-beta-D-glucosyl-9-O-(6' '-deoxysaccharosyl)ol...) Show SMILES COc1cc(ccc1O)[C@H]1OC[C@](O)(Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)[C@@H]1COC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C38H54O22/c1-52-21-8-17(4-5-19(21)42)33-18(12-54-13-25-28(45)34(50)38(14-41,59-25)60-36-32(49)30(47)27(44)24(11-40)58-36)37(51,15-55-33)9-16-3-6-20(22(7-16)53-2)56-35-31(48)29(46)26(43)23(10-39)57-35/h3-8,18,23-36,39-51H,9-15H2,1-2H3/t18-,23-,24-,25-,26-,27-,28-,29+,30+,31-,32-,33-,34+,35-,36-,37-,38+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement [3H]DPCPX from of human adenosine A1 receptor at high affinity state expressed in CHO cells				J Nat Prod 65: 1479-85 (2002) BindingDB Entry DOI: 10.7270/Q2JM29C6
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094591 (5,6-Dimethyl-7-(1-phenyl-ethyl)-2-pyridin-4-yl-7H-...) Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccncc1 Show InChI InChI=1S/C21H21N5/c1-13-14(2)26(15(3)16-7-5-4-6-8-16)21-18(13)19(22)24-20(25-21)17-9-11-23-12-10-17/h4-12,15H,1-3H3,(H2,22,24,25)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Glutamate receptor 3 (Homo sapiens (Human))	BDBM50289498 (3-Hydroxy-6-nitro-7-sulfamoyl-benzo[f]quinoxalin-2...) Show SMILES NS(=O)(=O)c1cccc2c1c(cc1[n-]c(=[OH+])c(=O)[n-]c21)[N+]([O-])=O Show InChI InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H4,13,14,15,17,18,21,22)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair
Glutamate receptor 3 (RAT)	BDBM50289498 (3-Hydroxy-6-nitro-7-sulfamoyl-benzo[f]quinoxalin-2...) Show SMILES NS(=O)(=O)c1cccc2c1c(cc1[n-]c(=[OH+])c(=O)[n-]c21)[N+]([O-])=O Show InChI InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H4,13,14,15,17,18,21,22)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair
Glutamate receptor 3 (Homo sapiens (Human))	BDBM50060635 ((S)-2-Amino-3-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-p...) Show SMILES N[C@@H](Cn1cc(F)c(=O)[nH]c1=O)C(O)=O |r| Show InChI InChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	179	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094587 (2-[4-Amino-5,6-dimethyl-7-(1-phenyl-ethyl)-7H-pyrr...) Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1O Show InChI InChI=1S/C22H22N4O/c1-13-14(2)26(15(3)16-9-5-4-6-10-16)22-19(13)20(23)24-21(25-22)17-11-7-8-12-18(17)27/h4-12,15,27H,1-3H3,(H2,23,24,25)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Glutamate receptor 3 (Homo sapiens (Human))	BDBM17657 ((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...) Show SMILES N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	254	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair
Glutamate receptor 3 (Homo sapiens (Human))	BDBM50289498 (3-Hydroxy-6-nitro-7-sulfamoyl-benzo[f]quinoxalin-2...) Show SMILES NS(=O)(=O)c1cccc2c1c(cc1[n-]c(=[OH+])c(=O)[n-]c21)[N+]([O-])=O Show InChI InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H4,13,14,15,17,18,21,22)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair
Glutamate receptor 3 (RAT)	BDBM17657 ((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...) Show SMILES N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	336	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair
Glutamate receptor 3 (Homo sapiens (Human))	BDBM50289498 (3-Hydroxy-6-nitro-7-sulfamoyl-benzo[f]quinoxalin-2...) Show SMILES NS(=O)(=O)c1cccc2c1c(cc1[n-]c(=[OH+])c(=O)[n-]c21)[N+]([O-])=O Show InChI InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H4,13,14,15,17,18,21,22)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair
Glutamate receptor 3 (Homo sapiens (Human))	BDBM50289504 (7-Cyano-3-hydroxy-6-nitro-quinoxalin-2-ol anion | ...) Show SMILES [O-][N+](=O)c1cc2[n-]c(=[OH+])c(=O)[n-]c2cc1C#N Show InChI InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H2,11,12,14,15)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	402	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair
Glutamate receptor 3 (RAT)	BDBM84949 (CAS_3035216 | NSC_3035216 | YM90k) Show SMILES ON(O)c1cc2=NC(=O)C(=O)N=c2cc1-n1ccnc1 |c:11,t:5| Show InChI InChI=1S/C11H7N5O4/c17-10-11(18)14-7-4-9(16(19)20)8(3-6(7)13-10)15-2-1-12-5-15/h1-5,19-20H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	407	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair
Glutamate receptor 3 (RAT)	BDBM50289504 (7-Cyano-3-hydroxy-6-nitro-quinoxalin-2-ol anion | ...) Show SMILES [O-][N+](=O)c1cc2[n-]c(=[OH+])c(=O)[n-]c2cc1C#N Show InChI InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H2,11,12,14,15)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094594 (5,6-Dimethyl-2-(1-oxy-pyridin-4-yl)-7-(1-phenyl-et...) Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cc[n+]([O-])cc1 Show InChI InChI=1S/C21H21N5O/c1-13-14(2)26(15(3)16-7-5-4-6-8-16)21-18(13)19(22)23-20(24-21)17-9-11-25(27)12-10-17/h4-12,15H,1-3H3,(H2,22,23,24)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50094599 (2-Furan-2-yl-5,6-dimethyl-7-(1-phenyl-ethyl)-7H-py...) Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccco1 Show InChI InChI=1S/C20H20N4O/c1-12-13(2)24(14(3)15-8-5-4-6-9-15)20-17(12)18(21)22-19(23-20)16-10-7-11-25-16/h4-11,14H,1-3H3,(H2,21,22,23)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Binding affinity at adenosine A2A receptor in rat striatal membrane preparations using [3H]-CGS-21,680 at a 30 uM				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Glutamate receptor 3 (Homo sapiens (Human))	BDBM85216 (Dnal,Cys,Tyr,DTrp,Lys,Val,Cys,Nal-nh2) Show SMILES CC(C)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](N)Cc1ccc2ccccc2c1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O Show InChI InChI=1S/C63H75N11O9S2/c1-36(2)55(63(83)73-54(35-85)61(81)69-50(56(66)76)31-39-19-23-41-12-4-6-14-43(41)28-39)74-58(78)49(17-9-10-26-64)68-60(80)52(32-44-33-67-48-16-8-7-15-46(44)48)71-59(79)51(30-37-20-24-45(75)25-21-37)70-62(82)53(34-84)72-57(77)47(65)29-38-18-22-40-11-3-5-13-42(40)27-38/h3-8,11-16,18-25,27-28,33,36,47,49-55,67,75,84-85H,9-10,17,26,29-32,34-35,64-65H2,1-2H3,(H2,66,76)(H,68,80)(H,69,81)(H,70,82)(H,71,79)(H,72,77)(H,73,83)(H,74,78)/t47-,49-,50+,51-,52+,53+,54+,55+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	494	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair
Glutamate receptor 3 (RAT)	BDBM82560 (CAS_2379-57-9 | DNQX | NSC_3140) Show SMILES [O-][N+](=O)c1cc2=NC(=O)C(=O)N=c2cc1[N+]([O-])=O |c:11,t:5| Show InChI InChI=1S/C8H2N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	PDB PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094603 (9-(1-Phenyl-ethyl)-2-pyridin-2-yl-9H-1,3,9-triaza-...) Show SMILES C[C@@H](c1ccccc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccn1 Show InChI InChI=1S/C23H19N5/c1-15(16-9-3-2-4-10-16)28-19-13-6-5-11-17(19)20-21(24)26-22(27-23(20)28)18-12-7-8-14-25-18/h2-15H,1H3,(H2,24,26,27)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094595 (5,6-Dimethyl-7-(1-phenyl-ethyl)-2-pyrazin-2-yl-7H-...) Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cnccn1 Show InChI InChI=1S/C20H20N6/c1-12-13(2)26(14(3)15-7-5-4-6-8-15)20-17(12)18(21)24-19(25-20)16-11-22-9-10-23-16/h4-11,14H,1-3H3,(H2,21,24,25)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50094601 (2-[2-(4-Chloro-phenyl)-5,6-dimethyl-7-(1-phenyl-et...) Show SMILES CCC(CO)Nc1nc(nc2n([C@H](C)c3ccccc3)c(C)c(C)c12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H29ClN4O/c1-5-22(15-32)28-25-23-16(2)17(3)31(18(4)19-9-7-6-8-10-19)26(23)30-24(29-25)20-11-13-21(27)14-12-20/h6-14,18,22,32H,5,15H2,1-4H3,(H,28,29,30)/t18-,22?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Binding affinity against human adenosine A3 receptor using [3H]-NECA at 30 uM				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094592 (9-Phenyl-2-pyridin-4-yl-6,7,8,9-tetrahydro-5H-1,3,...) Show SMILES Nc1nc(nc2n(c3CCCCc3c12)-c1ccccc1)-c1ccncc1 Show InChI InChI=1S/C21H19N5/c22-19-18-16-8-4-5-9-17(16)26(15-6-2-1-3-7-15)21(18)25-20(24-19)14-10-12-23-13-11-14/h1-3,6-7,10-13H,4-5,8-9H2,(H2,22,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Glutamate receptor 3 (Homo sapiens (Human))	BDBM84949 (CAS_3035216 | NSC_3035216 | YM90k) Show SMILES ON(O)c1cc2=NC(=O)C(=O)N=c2cc1-n1ccnc1 |c:11,t:5| Show InChI InChI=1S/C11H7N5O4/c17-10-11(18)14-7-4-9(16(19)20)8(3-6(7)13-10)15-2-1-12-5-15/h1-5,19-20H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair
Glutamate receptor 3 (RAT)	BDBM50289499 ((3E,7S)-5-[(dimethylamino)sulfonyl]-3-(hydroxyimin...) Show SMILES CN(C)S(=O)(=O)c1cc2[c-](N=O)c(=O)[nH]c2c2C[NH+](C)Cc12 Show InChI InChI=1S/C13H15N4O4S/c1-16(2)22(20,21)10-4-7-11(14-13(18)12(7)15-19)9-6-17(3)5-8(9)10/h4H,5-6H2,1-3H3,(H,14,18)/q-1/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	782	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094598 (2-(7-Cyclopentyl-5,6-dimethyl-2-phenyl-7H-pyrrolo[...) Show SMILES CCC(CO)Nc1nc(nc2n(C3CCCC3)c(C)c(C)c12)-c1ccccc1 Show InChI InChI=1S/C23H30N4O/c1-4-18(14-28)24-22-20-15(2)16(3)27(19-12-8-9-13-19)23(20)26-21(25-22)17-10-6-5-7-11-17/h5-7,10-11,18-19,28H,4,8-9,12-14H2,1-3H3,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50094591 (5,6-Dimethyl-7-(1-phenyl-ethyl)-2-pyridin-4-yl-7H-...) Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccncc1 Show InChI InChI=1S/C21H21N5/c1-13-14(2)26(15(3)16-7-5-4-6-8-16)21-18(13)19(22)24-20(25-21)17-9-11-23-12-10-17/h4-12,15H,1-3H3,(H2,22,24,25)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Binding affinity at adenosine A2A receptor in rat striatal membrane preparations using [3H]-CGS-21,680 at a 30 uM				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Glutamate receptor 3 (Homo sapiens (Human))	BDBM50289499 ((3E,7S)-5-[(dimethylamino)sulfonyl]-3-(hydroxyimin...) Show SMILES CN(C)S(=O)(=O)c1cc2[c-](N=O)c(=O)[nH]c2c2C[NH+](C)Cc12 Show InChI InChI=1S/C13H15N4O4S/c1-16(2)22(20,21)10-4-7-11(14-13(18)12(7)15-19)9-6-17(3)5-8(9)10/h4H,5-6H2,1-3H3,(H,14,18)/q-1/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair
Glutamate receptor 3 (Homo sapiens (Human))	BDBM85214 (glutamate-AMPA) Show SMILES Cc1o[nH]c(=O)c1C[C@H](N)C(O)=O |r| Show InChI InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid UniChem Patents Similars	MMDB PubMed	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair
Glutamate receptor 3 (Homo sapiens (Human))	BDBM82560 (CAS_2379-57-9 | DNQX | NSC_3140) Show SMILES [O-][N+](=O)c1cc2=NC(=O)C(=O)N=c2cc1[N+]([O-])=O |c:11,t:5| Show InChI InChI=1S/C8H2N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB PubMed	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50094598 (2-(7-Cyclopentyl-5,6-dimethyl-2-phenyl-7H-pyrrolo[...) Show SMILES CCC(CO)Nc1nc(nc2n(C3CCCC3)c(C)c(C)c12)-c1ccccc1 Show InChI InChI=1S/C23H30N4O/c1-4-18(14-28)24-22-20-15(2)16(3)27(19-12-8-9-13-19)23(20)26-21(25-22)17-10-6-5-7-11-17/h5-7,10-11,18-19,28H,4,8-9,12-14H2,1-3H3,(H,24,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Binding affinity against human adenosine A3 receptor using [3H]-NECA at 30 uM				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Glutamate receptor 3 (Homo sapiens (Human))	BDBM84949 (CAS_3035216 | NSC_3035216 | YM90k) Show SMILES ON(O)c1cc2=NC(=O)C(=O)N=c2cc1-n1ccnc1 |c:11,t:5| Show InChI InChI=1S/C11H7N5O4/c17-10-11(18)14-7-4-9(16(19)20)8(3-6(7)13-10)15-2-1-12-5-15/h1-5,19-20H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair
Glutamate receptor 3 (Homo sapiens (Human))	BDBM82560 (CAS_2379-57-9 | DNQX | NSC_3140) Show SMILES [O-][N+](=O)c1cc2=NC(=O)C(=O)N=c2cc1[N+]([O-])=O |c:11,t:5| Show InChI InChI=1S/C8H2N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB PubMed	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094604 (5,6-Dimethyl-7-(1-phenyl-ethyl)-2-pyridin-2-yl-7H-...) Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccn1 Show InChI InChI=1S/C21H21N5/c1-13-14(2)26(15(3)16-9-5-4-6-10-16)21-18(13)19(22)24-20(25-21)17-11-7-8-12-23-17/h4-12,15H,1-3H3,(H2,22,24,25)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Glutamate receptor 3 (Homo sapiens (Human))	BDBM50289504 (7-Cyano-3-hydroxy-6-nitro-quinoxalin-2-ol anion | ...) Show SMILES [O-][N+](=O)c1cc2[n-]c(=[OH+])c(=O)[n-]c2cc1C#N Show InChI InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H2,11,12,14,15)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	2.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair
Glutamate receptor 3 (Homo sapiens (Human))	BDBM84949 (CAS_3035216 | NSC_3035216 | YM90k) Show SMILES ON(O)c1cc2=NC(=O)C(=O)N=c2cc1-n1ccnc1 |c:11,t:5| Show InChI InChI=1S/C11H7N5O4/c17-10-11(18)14-7-4-9(16(19)20)8(3-6(7)13-10)15-2-1-12-5-15/h1-5,19-20H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	2.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094601 (2-[2-(4-Chloro-phenyl)-5,6-dimethyl-7-(1-phenyl-et...) Show SMILES CCC(CO)Nc1nc(nc2n([C@H](C)c3ccccc3)c(C)c(C)c12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H29ClN4O/c1-5-22(15-32)28-25-23-16(2)17(3)31(18(4)19-9-7-6-8-10-19)26(23)30-24(29-25)20-11-13-21(27)14-12-20/h6-14,18,22,32H,5,15H2,1-4H3,(H,28,29,30)/t18-,22?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Glutamate receptor 3 (Homo sapiens (Human))	BDBM50002369 ((2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methyleth...) Show SMILES CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor 3 (Homo sapiens (Human))	BDBM50289504 (7-Cyano-3-hydroxy-6-nitro-quinoxalin-2-ol anion | ...) Show SMILES [O-][N+](=O)c1cc2[n-]c(=[OH+])c(=O)[n-]c2cc1C#N Show InChI InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H2,11,12,14,15)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	2.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair
Glutamate receptor 3 (Homo sapiens (Human))	BDBM50252103 ((2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-MET...) Show SMILES C[C@H](\C=C\C=C(/C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4+/t9-,10+,11-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	2.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50174562 (CHEMBL3809320) Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C22H14ClN3O2S3/c1-28-15-8-2-12(3-9-15)10-18-19(27)25-22(30-18)26-21-24-16-11-17(29-20(16)31-21)13-4-6-14(23)7-5-13/h2-11H,1H3,(H,24,25,26,27)/b18-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lorraine Curated by ChEMBL					Assay Description Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/inhibitor comple...				Bioorg Med Chem 24: 2920-2928 (2016) Article DOI: 10.1016/j.bmc.2016.04.063 BindingDB Entry DOI: 10.7270/Q22J6DS9
					More data for this Ligand-Target Pair
Glutamate receptor 3 (RAT)	BDBM50252103 ((2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-MET...) Show SMILES C[C@H](\C=C\C=C(/C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4+/t9-,10+,11-,13+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	3.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair

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