Found 222 hits with Last Name = 'greene' 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 A2a
(Homo sapiens (Human)) | BDBM50108680
(CHEMBL3596517)Show SMILES COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4sc(C)nc4C)nn3c(N)nc12 |r| Show InChI InChI=1S/C21H26N8OS/c1-12-10-28(20-13(2)23-14(3)31-20)9-8-27(12)11-17-24-19-15-6-5-7-16(30-4)18(15)25-21(22)29(19)26-17/h5-7,12H,8-11H2,1-4H3,(H2,22,25)/t12-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human adenosine A2A receptor |
Bioorg Med Chem Lett 25: 2958-62 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.036 BindingDB Entry DOI: 10.7270/Q23F4RFG |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197275
(CHEMBL246023 | N-(2-(4-fluorophenyl)-2-methylpropy...)Show InChI InChI=1S/C19H18FN3O/c1-19(2,13-7-9-14(20)10-8-13)12-22-18(24)17-11-21-15-5-3-4-6-16(15)23-17/h3-11H,12H2,1-2H3,(H,22,24) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197248
(CHEMBL246244 | N-(2-methyl-2-phenylpropyl)-5,6,7,8...)Show InChI InChI=1S/C19H23N3O/c1-19(2,14-8-4-3-5-9-14)13-21-18(23)17-12-20-15-10-6-7-11-16(15)22-17/h3-5,8-9,12H,6-7,10-11,13H2,1-2H3,(H,21,23) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197254
(CHEMBL246250 | N-((1r,4r)-4-methylcyclohexyl)-5-(p...)Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cn1)N1CCCCC1 |wU:4.7,wD:1.0,(7.01,-30.31,;5.68,-31.07,;4.34,-30.31,;3.01,-31.08,;3.02,-32.61,;4.35,-33.38,;5.68,-32.61,;1.69,-33.39,;.35,-32.62,;.35,-31.08,;-.98,-33.4,;-.97,-34.95,;-2.31,-35.72,;-3.64,-34.95,;-3.64,-33.4,;-2.31,-32.63,;-4.97,-35.72,;-6.31,-34.95,;-7.64,-35.71,;-7.65,-37.25,;-6.31,-38.02,;-4.97,-37.26,)| Show InChI InChI=1S/C17H26N4O/c1-13-5-7-14(8-6-13)20-17(22)15-11-19-16(12-18-15)21-9-3-2-4-10-21/h11-14H,2-10H2,1H3,(H,20,22)/t13-,14- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197249
(CHEMBL245819 | N-(2-methyl-2-phenylpropyl)quinoxal...)Show InChI InChI=1S/C19H19N3O/c1-19(2,14-8-4-3-5-9-14)13-21-18(23)17-12-20-15-10-6-7-11-16(15)22-17/h3-12H,13H2,1-2H3,(H,21,23) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50108684
(CHEMBL3596513)Show SMILES COc1ccc(cc1)N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1 |r| Show InChI InChI=1S/C23H27N7O2/c1-15-13-29(16-7-9-17(31-2)10-8-16)12-11-28(15)14-20-25-22-18-5-4-6-19(32-3)21(18)26-23(24)30(22)27-20/h4-10,15H,11-14H2,1-3H3,(H2,24,26)/t15-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human adenosine A2A receptor |
Bioorg Med Chem Lett 25: 2958-62 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.036 BindingDB Entry DOI: 10.7270/Q23F4RFG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50108679
(CHEMBL3596518)Show SMILES COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4nsnc4Cl)nn3c(N)nc12 |r| Show InChI InChI=1S/C18H20ClN9OS/c1-10-8-27(17-15(19)24-30-25-17)7-6-26(10)9-13-21-16-11-4-3-5-12(29-2)14(11)22-18(20)28(16)23-13/h3-5,10H,6-9H2,1-2H3,(H2,20,22)/t10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human adenosine A2A receptor |
Bioorg Med Chem Lett 25: 2958-62 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.036 BindingDB Entry DOI: 10.7270/Q23F4RFG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50108674
(CHEMBL3596504)Show SMILES COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cccc(F)c4)nn3c(N)nc12 |r| Show InChI InChI=1S/C22H24FN7O/c1-14-12-29(16-6-3-5-15(23)11-16)10-9-28(14)13-19-25-21-17-7-4-8-18(31-2)20(17)26-22(24)30(21)27-19/h3-8,11,14H,9-10,12-13H2,1-2H3,(H2,24,26)/t14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human adenosine A2A receptor |
Bioorg Med Chem Lett 25: 2958-62 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.036 BindingDB Entry DOI: 10.7270/Q23F4RFG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50108676
(CHEMBL3596502)Show SMILES COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccc(F)cc4)nn3c(N)nc12 |r| Show InChI InChI=1S/C22H24FN7O/c1-14-12-29(16-8-6-15(23)7-9-16)11-10-28(14)13-19-25-21-17-4-3-5-18(31-2)20(17)26-22(24)30(21)27-19/h3-9,14H,10-13H2,1-2H3,(H2,24,26)/t14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human adenosine A2A receptor |
Bioorg Med Chem Lett 25: 2958-62 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.036 BindingDB Entry DOI: 10.7270/Q23F4RFG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50108681
(CHEMBL3596516)Show SMILES COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cnc(C)s4)nn3c(N)nc12 |r| Show InChI InChI=1S/C20H24N8OS/c1-12-10-27(17-9-22-13(2)30-17)8-7-26(12)11-16-23-19-14-5-4-6-15(29-3)18(14)24-20(21)28(19)25-16/h4-6,9,12H,7-8,10-11H2,1-3H3,(H2,21,24)/t12-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human adenosine A2A receptor |
Bioorg Med Chem Lett 25: 2958-62 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.036 BindingDB Entry DOI: 10.7270/Q23F4RFG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50108647
(CHEMBL3596512)Show SMILES COc1cccc(c1)N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1 |r| Show InChI InChI=1S/C23H27N7O2/c1-15-13-29(16-6-4-7-17(12-16)31-2)11-10-28(15)14-20-25-22-18-8-5-9-19(32-3)21(18)26-23(24)30(22)27-20/h4-9,12,15H,10-11,13-14H2,1-3H3,(H2,24,26)/t15-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human adenosine A2A receptor |
Bioorg Med Chem Lett 25: 2958-62 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.036 BindingDB Entry DOI: 10.7270/Q23F4RFG |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197247
(CHEMBL246251 | N-cycloheptyl-5-(piperidin-1-yl)pyr...)Show InChI InChI=1S/C17H26N4O/c22-17(20-14-8-4-1-2-5-9-14)15-12-19-16(13-18-15)21-10-6-3-7-11-21/h12-14H,1-11H2,(H,20,22) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50108675
(CHEMBL3596503)Show SMILES COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccccc4F)nn3c(N)nc12 |r| Show InChI InChI=1S/C22H24FN7O/c1-14-12-29(17-8-4-3-7-16(17)23)11-10-28(14)13-19-25-21-15-6-5-9-18(31-2)20(15)26-22(24)30(21)27-19/h3-9,14H,10-13H2,1-2H3,(H2,24,26)/t14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human adenosine A2A receptor |
Bioorg Med Chem Lett 25: 2958-62 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.036 BindingDB Entry DOI: 10.7270/Q23F4RFG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50108648
(CHEMBL3596511)Show SMILES COc1ccccc1N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1 |r| Show InChI InChI=1S/C23H27N7O2/c1-15-13-29(17-8-4-5-9-18(17)31-2)12-11-28(15)14-20-25-22-16-7-6-10-19(32-3)21(16)26-23(24)30(22)27-20/h4-10,15H,11-14H2,1-3H3,(H2,24,26)/t15-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human adenosine A2A receptor |
Bioorg Med Chem Lett 25: 2958-62 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.036 BindingDB Entry DOI: 10.7270/Q23F4RFG |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197268
(5-(4-(hydroxymethyl)piperidin-1-yl)-N-((1r,4r)-4-m...)Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cn1)N1CCC(CO)CC1 |wU:4.7,wD:1.0,(9.04,-40.15,;7.71,-40.92,;6.38,-40.15,;5.04,-40.92,;5.05,-42.45,;6.38,-43.22,;7.71,-42.46,;3.72,-43.23,;2.38,-42.46,;2.38,-40.92,;1.05,-43.24,;1.06,-44.79,;-.28,-45.56,;-1.61,-44.79,;-1.61,-43.25,;-.28,-42.48,;-2.95,-45.56,;-4.28,-44.79,;-5.61,-45.55,;-5.62,-47.09,;-6.96,-47.85,;-8.29,-47.08,;-4.29,-47.87,;-2.94,-47.1,)| Show InChI InChI=1S/C18H28N4O2/c1-13-2-4-15(5-3-13)21-18(24)16-10-20-17(11-19-16)22-8-6-14(12-23)7-9-22/h10-11,13-15,23H,2-9,12H2,1H3,(H,21,24)/t13-,15- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50108677
(CHEMBL3596590)Show SMILES COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cnn(c4)C(C)(C)C)nn3c(N)nc12 |r| Show InChI InChI=1S/C23H31N9O/c1-15-12-30(16-11-25-31(13-16)23(2,3)4)10-9-29(15)14-19-26-21-17-7-6-8-18(33-5)20(17)27-22(24)32(21)28-19/h6-8,11,13,15H,9-10,12,14H2,1-5H3,(H2,24,27)/t15-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human adenosine A2A receptor |
Bioorg Med Chem Lett 25: 2958-62 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.036 BindingDB Entry DOI: 10.7270/Q23F4RFG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50108672
(CHEMBL3596506)Show SMILES COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccccc4)nn3c(N)nc12 |r| Show InChI InChI=1S/C22H25N7O/c1-15-13-28(16-7-4-3-5-8-16)12-11-27(15)14-19-24-21-17-9-6-10-18(30-2)20(17)25-22(23)29(21)26-19/h3-10,15H,11-14H2,1-2H3,(H2,23,25)/t15-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human adenosine A2A receptor |
Bioorg Med Chem Lett 25: 2958-62 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.036 BindingDB Entry DOI: 10.7270/Q23F4RFG |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197272
(CHEMBL246245 | N-(2-methyl-2-phenylpropyl)-6-(pipe...)Show InChI InChI=1S/C20H26N4O/c1-20(2,16-9-5-3-6-10-16)15-22-19(25)17-13-21-14-18(23-17)24-11-7-4-8-12-24/h3,5-6,9-10,13-14H,4,7-8,11-12,15H2,1-2H3,(H,22,25) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50108673
(CHEMBL3596505)Show SMILES COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccc(F)cn4)nn3c(N)nc12 |r| Show InChI InChI=1S/C21H23FN8O/c1-13-11-29(18-7-6-14(22)10-24-18)9-8-28(13)12-17-25-20-15-4-3-5-16(31-2)19(15)26-21(23)30(20)27-17/h3-7,10,13H,8-9,11-12H2,1-2H3,(H2,23,26)/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human adenosine A2A receptor |
Bioorg Med Chem Lett 25: 2958-62 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.036 BindingDB Entry DOI: 10.7270/Q23F4RFG |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197276
(5-((2-cyanoethyl)(methyl)amino)-N-(2-methyl-2-phen...)Show InChI InChI=1S/C19H23N5O/c1-19(2,15-8-5-4-6-9-15)14-23-18(25)16-12-22-17(13-21-16)24(3)11-7-10-20/h4-6,8-9,12-13H,7,11,14H2,1-3H3,(H,23,25) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197266
(CHEMBL246024 | N-(2-methoxy-2-phenylpropyl)quinoxa...)Show SMILES COC(C)(CNC(=O)c1cnc2ccccc2n1)c1ccccc1 |w:2.2| Show InChI InChI=1S/C19H19N3O2/c1-19(24-2,14-8-4-3-5-9-14)13-21-18(23)17-12-20-15-10-6-7-11-16(15)22-17/h3-12H,13H2,1-2H3,(H,21,23) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197255
(CHEMBL443489 | N-(2-methyl-2-phenylpropyl)-5-(pipe...)Show InChI InChI=1S/C20H26N4O/c1-20(2,16-9-5-3-6-10-16)15-23-19(25)17-13-22-18(14-21-17)24-11-7-4-8-12-24/h3,5-6,9-10,13-14H,4,7-8,11-12,15H2,1-2H3,(H,23,25) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50108678
(CHEMBL3596589)Show SMILES CCn1cc(cn1)N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1 |r| Show InChI InChI=1S/C21H27N9O/c1-4-29-12-15(10-23-29)28-9-8-27(14(2)11-28)13-18-24-20-16-6-5-7-17(31-3)19(16)25-21(22)30(20)26-18/h5-7,10,12,14H,4,8-9,11,13H2,1-3H3,(H2,22,25)/t14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human adenosine A2A receptor |
Bioorg Med Chem Lett 25: 2958-62 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.036 BindingDB Entry DOI: 10.7270/Q23F4RFG |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197265
(CHEMBL241699 | N-(2-phenylpropyl)quinoxaline-2-car...)Show InChI InChI=1S/C18H17N3O/c1-13(14-7-3-2-4-8-14)11-20-18(22)17-12-19-15-9-5-6-10-16(15)21-17/h2-10,12-13H,11H2,1H3,(H,20,22) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50108682
(CHEMBL3596515)Show SMILES COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ncc(C)s4)nn3c(N)nc12 |r| Show InChI InChI=1S/C20H24N8OS/c1-12-10-27(20-22-9-13(2)30-20)8-7-26(12)11-16-23-18-14-5-4-6-15(29-3)17(14)24-19(21)28(18)25-16/h4-6,9,12H,7-8,10-11H2,1-3H3,(H2,21,24)/t12-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human adenosine A2A receptor |
Bioorg Med Chem Lett 25: 2958-62 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.036 BindingDB Entry DOI: 10.7270/Q23F4RFG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50108683
(CHEMBL3596514)Show SMILES COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cnn(C)c4)nn3c(N)nc12 |r| Show InChI InChI=1S/C20H25N9O/c1-13-10-28(14-9-22-26(2)11-14)8-7-27(13)12-17-23-19-15-5-4-6-16(30-3)18(15)24-20(21)29(19)25-17/h4-6,9,11,13H,7-8,10,12H2,1-3H3,(H2,21,24)/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human adenosine A2A receptor |
Bioorg Med Chem Lett 25: 2958-62 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.036 BindingDB Entry DOI: 10.7270/Q23F4RFG |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197270
((R)-6-(2-hydroxy-1-phenylethylamino)-N-(2-methyl-2...)Show SMILES CC(C)(CNC(=O)c1cncc(N[C@@H](CO)c2ccccc2)n1)c1ccccc1 Show InChI InChI=1S/C23H26N4O2/c1-23(2,18-11-7-4-8-12-18)16-25-22(29)19-13-24-14-21(26-19)27-20(15-28)17-9-5-3-6-10-17/h3-14,20,28H,15-16H2,1-2H3,(H,25,29)(H,26,27)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197257
(5-((1-(dimethylamino)propan-2-yl)(methyl)amino)-N-...)Show SMILES CC(CN(C)C)N(C)c1cnc(cn1)C(=O)NCC(C)(C)c1ccccc1 |w:1.0| Show InChI InChI=1S/C21H31N5O/c1-16(14-25(4)5)26(6)19-13-22-18(12-23-19)20(27)24-15-21(2,3)17-10-8-7-9-11-17/h7-13,16H,14-15H2,1-6H3,(H,24,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50108649
(CHEMBL3596510)Show SMILES COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ncccn4)nn3c(N)nc12 |r| Show InChI InChI=1S/C20H23N9O/c1-13-11-28(20-22-7-4-8-23-20)10-9-27(13)12-16-24-18-14-5-3-6-15(30-2)17(14)25-19(21)29(18)26-16/h3-8,13H,9-12H2,1-2H3,(H2,21,25)/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human adenosine A2A receptor |
Bioorg Med Chem Lett 25: 2958-62 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.036 BindingDB Entry DOI: 10.7270/Q23F4RFG |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197251
(6-(butyl(methyl)amino)-N-cycloheptylpyrazine-2-car...)Show InChI InChI=1S/C17H28N4O/c1-3-4-11-21(2)16-13-18-12-15(20-16)17(22)19-14-9-7-5-6-8-10-14/h12-14H,3-11H2,1-2H3,(H,19,22) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197264
(5-(4-(hydroxymethyl)piperidin-1-yl)-N-(2-methyl-2-...)Show SMILES CC(C)(CNC(=O)c1cnc(cn1)N1CCC(CO)CC1)c1ccccc1 Show InChI InChI=1S/C21H28N4O2/c1-21(2,17-6-4-3-5-7-17)15-24-20(27)18-12-23-19(13-22-18)25-10-8-16(14-26)9-11-25/h3-7,12-13,16,26H,8-11,14-15H2,1-2H3,(H,24,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50108671
(CHEMBL3596507)Show SMILES COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccccn4)nn3c(N)nc12 |r| Show InChI InChI=1S/C21H24N8O/c1-14-12-28(18-8-3-4-9-23-18)11-10-27(14)13-17-24-20-15-6-5-7-16(30-2)19(15)25-21(22)29(20)26-17/h3-9,14H,10-13H2,1-2H3,(H2,22,25)/t14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human adenosine A2A receptor |
Bioorg Med Chem Lett 25: 2958-62 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.036 BindingDB Entry DOI: 10.7270/Q23F4RFG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50108651
(CHEMBL3596508)Show SMILES COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cccnc4)nn3c(N)nc12 |r| Show InChI InChI=1S/C21H24N8O/c1-14-12-28(15-5-4-8-23-11-15)10-9-27(14)13-18-24-20-16-6-3-7-17(30-2)19(16)25-21(22)29(20)26-18/h3-8,11,14H,9-10,12-13H2,1-2H3,(H2,22,25)/t14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human adenosine A2A receptor |
Bioorg Med Chem Lett 25: 2958-62 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.036 BindingDB Entry DOI: 10.7270/Q23F4RFG |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197252
(CHEMBL247485 | N-(2,3-dihydro-1H-inden-2-yl)-6-(et...)Show InChI InChI=1S/C17H20N4O/c1-3-21(2)16-11-18-10-15(20-16)17(22)19-14-8-12-6-4-5-7-13(12)9-14/h4-7,10-11,14H,3,8-9H2,1-2H3,(H,19,22) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197245
(CHEMBL393681 | N-(2-methyl-1-phenylpropan-2-yl)qui...)Show InChI InChI=1S/C19H19N3O/c1-19(2,12-14-8-4-3-5-9-14)22-18(23)17-13-20-15-10-6-7-11-16(15)21-17/h3-11,13H,12H2,1-2H3,(H,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197262
(CHEMBL246025 | N-(2-methyl-2-(pyridin-2-yl)propyl)...)Show InChI InChI=1S/C18H18N4O/c1-18(2,16-9-5-6-10-19-16)12-21-17(23)15-11-20-13-7-3-4-8-14(13)22-15/h3-11H,12H2,1-2H3,(H,21,23) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197267
(6-((2-hydroxyethyl)(methyl)amino)-N-(2-methyl-2-ph...)Show InChI InChI=1S/C18H24N4O2/c1-18(2,14-7-5-4-6-8-14)13-20-17(24)15-11-19-12-16(21-15)22(3)9-10-23/h4-8,11-12,23H,9-10,13H2,1-3H3,(H,20,24) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197253
(6-(3-hydroxyphenethylamino)-N-(cyclopropylmethyl)p...)Show InChI InChI=1S/C17H20N4O2/c22-14-3-1-2-12(8-14)6-7-19-16-11-18-10-15(21-16)17(23)20-9-13-4-5-13/h1-3,8,10-11,13,22H,4-7,9H2,(H,19,21)(H,20,23) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197259
(6-(4-benzyl-1,4-diazepan-1-yl)-N-(cyclopropylmethy...)Show InChI InChI=1S/C21H27N5O/c27-21(23-13-17-7-8-17)19-14-22-15-20(24-19)26-10-4-9-25(11-12-26)16-18-5-2-1-3-6-18/h1-3,5-6,14-15,17H,4,7-13,16H2,(H,23,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197271
(CHEMBL245820 | N-phenethylquinoxaline-2-carboxamid...)Show InChI InChI=1S/C17H15N3O/c21-17(18-11-10-13-6-2-1-3-7-13)16-12-19-14-8-4-5-9-15(14)20-16/h1-9,12H,10-11H2,(H,18,21) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50108650
(CHEMBL3596509)Show SMILES COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccncc4)nn3c(N)nc12 |r| Show InChI InChI=1S/C21H24N8O/c1-14-12-28(15-6-8-23-9-7-15)11-10-27(14)13-18-24-20-16-4-3-5-17(30-2)19(16)25-21(22)29(20)26-18/h3-9,14H,10-13H2,1-2H3,(H2,22,25)/t14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human adenosine A2A receptor |
Bioorg Med Chem Lett 25: 2958-62 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.036 BindingDB Entry DOI: 10.7270/Q23F4RFG |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197273
((3-phenylpiperidin-1-yl)(quinoxalin-2-yl)methanone...)Show SMILES O=C(N1CCCC(C1)c1ccccc1)c1cnc2ccccc2n1 |w:6.8| Show InChI InChI=1S/C20H19N3O/c24-20(19-13-21-17-10-4-5-11-18(17)22-19)23-12-6-9-16(14-23)15-7-2-1-3-8-15/h1-5,7-8,10-11,13,16H,6,9,12,14H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 125 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197258
(CHEMBL247476 | N-(2-methyl-2-phenylpropyl)-5-pheny...)Show InChI InChI=1S/C21H21N3O/c1-21(2,17-11-7-4-8-12-17)15-24-20(25)19-14-22-18(13-23-19)16-9-5-3-6-10-16/h3-14H,15H2,1-2H3,(H,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 179 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197269
(CHEMBL247475 | N-(2-methyl-2-phenylpropyl)-6-pheny...)Show InChI InChI=1S/C21H21N3O/c1-21(2,17-11-7-4-8-12-17)15-23-20(25)19-14-22-13-18(24-19)16-9-5-3-6-10-16/h3-14H,15H2,1-2H3,(H,23,25) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 315 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197274
((8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-2...)Show SMILES CN1CCN(CC1)c1nccn2cc(nc12)C(=O)N1CCCN(CC1)c1ccccn1 Show InChI InChI=1S/C22H28N8O/c1-26-11-13-28(14-12-26)20-21-25-18(17-30(21)10-7-24-20)22(31)29-9-4-8-27(15-16-29)19-5-2-3-6-23-19/h2-3,5-7,10,17H,4,8-9,11-16H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 407 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197261
(CHEMBL393507 | N-(2-(methylamino)-2-phenylpropyl)q...)Show SMILES CNC(C)(CNC(=O)c1cnc2ccccc2n1)c1ccccc1 |w:2.2| Show InChI InChI=1S/C19H20N4O/c1-19(20-2,14-8-4-3-5-9-14)13-22-18(24)17-12-21-15-10-6-7-11-16(15)23-17/h3-12,20H,13H2,1-2H3,(H,22,24) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197250
((8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-2...)Show SMILES CN1CCN(CC1)c1nccn2cc(nc12)C(=O)N1CCCN(CC1)c1cccc(C)n1 Show InChI InChI=1S/C23H30N8O/c1-18-5-3-6-20(25-18)28-8-4-9-30(16-15-28)23(32)19-17-31-10-7-24-21(22(31)26-19)29-13-11-27(2)12-14-29/h3,5-7,10,17H,4,8-9,11-16H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197263
((8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-2...)Show SMILES CN1CCN(CC1)c1nccn2cc(nc12)C(=O)N1CCCC(C1)c1ccccc1 |w:22.27| Show InChI InChI=1S/C23H28N6O/c1-26-12-14-27(15-13-26)21-22-25-20(17-28(22)11-9-24-21)23(30)29-10-5-8-19(16-29)18-6-3-2-4-7-18/h2-4,6-7,9,11,17,19H,5,8,10,12-16H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50108672
(CHEMBL3596506)Show SMILES COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccccc4)nn3c(N)nc12 |r| Show InChI InChI=1S/C22H25N7O/c1-15-13-28(16-7-4-3-5-8-16)12-11-27(15)14-19-24-21-17-9-6-10-18(30-2)20(17)25-22(23)29(21)26-19/h3-10,15H,11-14H2,1-2H3,(H2,23,25)/t15-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human adenosine A1 receptor |
Bioorg Med Chem Lett 25: 2958-62 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.036 BindingDB Entry DOI: 10.7270/Q23F4RFG |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50197256
(8-(4-methylpiperazin-1-yl)-N-(2-phenylpropyl)imida...)Show SMILES CC(CNC(=O)c1cn2ccnc(N3CCN(C)CC3)c2n1)c1ccccc1 |w:1.0| Show InChI InChI=1S/C21H26N6O/c1-16(17-6-4-3-5-7-17)14-23-21(28)18-15-27-9-8-22-19(20(27)24-18)26-12-10-25(2)11-13-26/h3-9,15-16H,10-14H2,1-2H3,(H,23,28) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay |
Bioorg Med Chem Lett 17: 486-90 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q |
More data for this Ligand-Target Pair | |