Found 718 hits with Last Name = 'porte' and Initial = 'a' 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 |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM50417257
(SB-649868)Show SMILES Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(s1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 0.0776 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at recombinant rat OX2R expressed in CHO cells by FLIPR calcium based functional assay |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086 BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Rattus norvegicus (Rat)) | BDBM50417257
(SB-649868)Show SMILES Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(s1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 0.117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at recombinant rat OX1R expressed in CHO cells by FLIPR calcium based functional assay |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086 BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50419142
(CHEMBL1830963)Show SMILES Fc1ccc(cc1)C(=O)NC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C26H25FN2O2/c27-21-15-13-20(14-16-21)25(30)28-18-22-10-6-7-17-29(22)26(31)24-12-5-4-11-23(24)19-8-2-1-3-9-19/h1-5,8-9,11-16,22H,6-7,10,17-18H2,(H,28,30)/t22-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at recombinant human OX1R expressed in CHO cells by FLIPR calcium based functional assay |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086 BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50419136
(CHEMBL1830961)Show SMILES Fc1ccc(OCC[C@@H]2CCCCN2C(=O)c2ccccc2-c2ccccc2)c(F)c1 |r| Show InChI InChI=1S/C26H25F2NO2/c27-20-13-14-25(24(28)18-20)31-17-15-21-10-6-7-16-29(21)26(30)23-12-5-4-11-22(23)19-8-2-1-3-9-19/h1-5,8-9,11-14,18,21H,6-7,10,15-17H2/t21-/m0/s1 | PDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at recombinant human OX1R expressed in CHO cells by FLIPR calcium based functional assay |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086 BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Rattus norvegicus (rat)) | BDBM31592
(PF-2545920 | US9138494, MP-10 | substituted pyraz...)Show SMILES Cn1cc(c(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1 Show InChI InChI=1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3 | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]5-(6,7-dimethoxycinnolin-4-yl)-N-isopropyl-3-methylpyridin-2-amine from PDE10A in Sprague-Dawley rat striatum |
J Med Chem 55: 4776-87 (2012)
Article DOI: 10.1021/jm3002372 BindingDB Entry DOI: 10.7270/Q2WM1FFG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50419142
(CHEMBL1830963)Show SMILES Fc1ccc(cc1)C(=O)NC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C26H25FN2O2/c27-21-15-13-20(14-16-21)25(30)28-18-22-10-6-7-17-29(22)26(31)24-12-5-4-11-23(24)19-8-2-1-3-9-19/h1-5,8-9,11-16,22H,6-7,10,17-18H2,(H,28,30)/t22-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at recombinant human OX2R expressed in CHO cells by FLIPR calcium based functional assay |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086 BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50417257
(SB-649868)Show SMILES Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(s1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1 | PDB
Reactome pathway KEGG
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| Article PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at recombinant human OX1R expressed in CHO cells by FLIPR calcium based functional assay |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086 BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50417257
(SB-649868)Show SMILES Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(s1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1 | PDB
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| Article PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at recombinant human OX2R expressed in CHO cells by FLIPR calcium based functional assay |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086 BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50019492
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14) | PDB
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| 0.620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1558-65 (1994)
BindingDB Entry DOI: 10.7270/Q2G73C76 |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50417257
(SB-649868)Show SMILES Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(s1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1 | PDB
Reactome pathway KEGG
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| Article PubMed
| 0.759 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Displacement of [3H]almorexant from recombinant human OX1R expressed in CHO cells |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086 BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50013515
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
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| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1558-65 (1994)
BindingDB Entry DOI: 10.7270/Q2G73C76 |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50419136
(CHEMBL1830961)Show SMILES Fc1ccc(OCC[C@@H]2CCCCN2C(=O)c2ccccc2-c2ccccc2)c(F)c1 |r| Show InChI InChI=1S/C26H25F2NO2/c27-20-13-14-25(24(28)18-20)31-17-15-21-10-6-7-16-29(21)26(30)23-12-5-4-11-22(23)19-8-2-1-3-9-19/h1-5,8-9,11-14,18,21H,6-7,10,15-17H2/t21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at recombinant human OX2R expressed in CHO cells by FLIPR calcium based functional assay |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086 BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50419131
(CHEMBL1830968)Show SMILES O=C(NC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)Nc1ccccc1 |r| Show InChI InChI=1S/C26H27N3O2/c30-25(24-17-8-7-16-23(24)20-11-3-1-4-12-20)29-18-10-9-15-22(29)19-27-26(31)28-21-13-5-2-6-14-21/h1-8,11-14,16-17,22H,9-10,15,18-19H2,(H2,27,28,31)/t22-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at recombinant human OX1R expressed in CHO cells by FLIPR calcium based functional assay |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086 BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50020192
(8-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-1-phen...)Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1 Show InChI InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26) | PDB
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| 1.04 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1558-65 (1994)
BindingDB Entry DOI: 10.7270/Q2G73C76 |
More data for this Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Rattus norvegicus (rat)) | BDBM50365964
(CHEMBL1956235 | CHEMBL2070530)Show InChI InChI=1S/C19H22N4O2/c1-11(2)22-19-12(3)6-13(9-20-19)15-10-21-23-16-8-18(25-5)17(24-4)7-14(15)16/h6-11H,1-5H3,(H,20,22) | PDB MMDB
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| Article PubMed
| 1.18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]5-(6,7-dimethoxycinnolin-4-yl)-N-isopropyl-3-methylpyridin-2-amine from PDE10A in Sprague-Dawley rat striatum |
J Med Chem 55: 4776-87 (2012)
Article DOI: 10.1021/jm3002372 BindingDB Entry DOI: 10.7270/Q2WM1FFG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50417257
(SB-649868)Show SMILES Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(s1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1 | PDB
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| Article PubMed
| 1.29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Displacement of [3H]almorexant from recombinant human OX2R expressed in CHO cells |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086 BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(Homo sapiens (Human)) | BDBM50020192
(8-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-1-phen...)Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1 Show InChI InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26) | PDB
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| 1.57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1558-65 (1994)
BindingDB Entry DOI: 10.7270/Q2G73C76 |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50019492
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14) | PDB
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| 1.78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1558-65 (1994)
BindingDB Entry DOI: 10.7270/Q2G73C76 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50218750
(CHEMBL299498)Show InChI InChI=1S/C19H16N4O/c1-23-11-9-13-12-14(6-7-18(13)23)21-19(24)22-17-8-10-20-16-5-3-2-4-15(16)17/h2-12H,1H3,(H2,20,21,22,24) | PDB
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| CHEMBL PC cid PC sid UniChem
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| PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 2B receptor |
Bioorg Med Chem Lett 11: 1907-10 (2001)
BindingDB Entry DOI: 10.7270/Q2G16318 |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50013515
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 | PDB
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| 3.02 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1558-65 (1994)
BindingDB Entry DOI: 10.7270/Q2G73C76 |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM81444
(CAS_185453 | NSC_185453 | WB 4101 | WB-4101)Show InChI InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| PubMed
| 3.18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1558-65 (1994)
BindingDB Entry DOI: 10.7270/Q2G73C76 |
More data for this Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50013515
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| PubMed
| 3.71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1558-65 (1994)
BindingDB Entry DOI: 10.7270/Q2G73C76 |
More data for this Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50013515
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| PubMed
| 3.76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1558-65 (1994)
BindingDB Entry DOI: 10.7270/Q2G73C76 |
More data for this Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(Homo sapiens (Human)) | BDBM50019492
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
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| PubMed
| 3.83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1558-65 (1994)
BindingDB Entry DOI: 10.7270/Q2G73C76 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50218751
(CHEMBL300835)Show InChI InChI=1S/C20H18N4O/c1-13-11-14-12-15(7-8-19(14)24(13)2)22-20(25)23-18-9-10-21-17-6-4-3-5-16(17)18/h3-12H,1-2H3,(H2,21,22,23,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 2B receptor |
Bioorg Med Chem Lett 11: 1907-10 (2001)
BindingDB Entry DOI: 10.7270/Q2G16318 |
More data for this Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(Homo sapiens (Human)) | BDBM50013515
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| PubMed
| 4.59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1558-65 (1994)
BindingDB Entry DOI: 10.7270/Q2G73C76 |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50419137
(CHEMBL1830959)Show SMILES Fc1ccc(OCCC2CCCCN2C(=O)c2ccccc2-c2ccccc2)cc1 Show InChI InChI=1S/C26H26FNO2/c27-21-13-15-23(16-14-21)30-19-17-22-10-6-7-18-28(22)26(29)25-12-5-4-11-24(25)20-8-2-1-3-9-20/h1-5,8-9,11-16,22H,6-7,10,17-19H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at recombinant human OX1R expressed in CHO cells by FLIPR calcium based functional assay |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086 BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50419131
(CHEMBL1830968)Show SMILES O=C(NC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)Nc1ccccc1 |r| Show InChI InChI=1S/C26H27N3O2/c30-25(24-17-8-7-16-23(24)20-11-3-1-4-12-20)29-18-10-9-15-22(29)19-27-26(31)28-21-13-5-2-6-14-21/h1-8,11-14,16-17,22H,9-10,15,18-19H2,(H2,27,28,31)/t22-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 5.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at recombinant human OX2R expressed in CHO cells by FLIPR calcium based functional assay |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086 BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM82520
(BRL44408 | CAS_121850 | NSC_121850)Show InChI InChI=1S/C13H17N3/c1-10-12-5-3-2-4-11(12)8-16(10)9-13-14-6-7-15-13/h2-5,10H,6-9H2,1H3,(H,14,15) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Patents
| PubMed
| 5.68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1558-65 (1994)
BindingDB Entry DOI: 10.7270/Q2G73C76 |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50419140
(CHEMBL1830960)Show SMILES Fc1ccc(OCC[C@@H]2CCCCN2C(=O)c2cccc3ccccc23)cc1 |r| Show InChI InChI=1S/C24H24FNO2/c25-19-11-13-21(14-12-19)28-17-15-20-8-3-4-16-26(20)24(27)23-10-5-7-18-6-1-2-9-22(18)23/h1-2,5-7,9-14,20H,3-4,8,15-17H2/t20-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 6.31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at recombinant human OX1R expressed in CHO cells by FLIPR calcium based functional assay |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086 BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50419135
(CHEMBL1830962)Show SMILES O=C(NC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H26N2O2/c29-25(21-13-5-2-6-14-21)27-19-22-15-9-10-18-28(22)26(30)24-17-8-7-16-23(24)20-11-3-1-4-12-20/h1-8,11-14,16-17,22H,9-10,15,18-19H2,(H,27,29)/t22-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at recombinant human OX1R expressed in CHO cells by FLIPR calcium based functional assay |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086 BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM30712
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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DrugBank KEGG PC cid PC sid PDB UniChem
Similars
| PDB PubMed
| 9.68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1558-65 (1994)
BindingDB Entry DOI: 10.7270/Q2G73C76 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50419132
(CHEMBL1830967)Show SMILES O=C(CC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H27NO2/c29-26(22-13-5-2-6-14-22)19-18-23-15-9-10-20-28(23)27(30)25-17-8-7-16-24(25)21-11-3-1-4-12-21/h1-8,11-14,16-17,23H,9-10,15,18-20H2/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at recombinant human OX1R expressed in CHO cells by FLIPR calcium based functional assay |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086 BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50219319
(CHEMBL438925)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC2=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C152H243N47O44S4/c1-20-76(14)118(146(239)188-96(51-74(10)11)138(231)197-119(80(18)201)147(240)180-92(121(156)214)47-70(2)3)195-115(209)62-166-123(216)78(16)171-124(217)79(17)172-131(224)99(55-84-59-162-69-169-84)186-136(229)100(56-111(155)205)174-114(208)61-165-122(215)77(15)170-113(207)60-167-125(218)98(54-83-58-161-68-168-83)185-134(227)95(50-73(8)9)183-132(225)93(48-71(4)5)182-129(222)90(38-41-116(210)211)179-135(228)97(53-82-32-34-85(203)35-33-82)184-133(226)94(49-72(6)7)181-127(220)88(29-24-44-164-152(159)160)177-140(233)104-64-244-245-65-105-141(234)176-87(28-23-43-163-151(157)158)126(219)178-89(36-39-110(154)204)128(221)175-86(27-21-22-42-153)130(223)196-120(81(19)202)148(241)194-107(142(235)190-103(63-200)139(232)192-104)67-247-246-66-106(143(236)193-105)191-137(230)101(57-117(212)213)187-144(237)108-30-26-46-199(108)150(243)102(52-75(12)13)189-145(238)109-31-25-45-198(109)149(242)91-37-40-112(206)173-91/h32-35,58-59,68-81,86-109,118-120,200-203H,20-31,36-57,60-67,153H2,1-19H3,(H2,154,204)(H2,155,205)(H2,156,214)(H,161,168)(H,162,169)(H,165,215)(H,166,216)(H,167,218)(H,170,207)(H,171,217)(H,172,224)(H,173,206)(H,174,208)(H,175,221)(H,176,234)(H,177,233)(H,178,219)(H,179,228)(H,180,240)(H,181,220)(H,182,222)(H,183,225)(H,184,226)(H,185,227)(H,186,229)(H,187,237)(H,188,239)(H,189,238)(H,190,235)(H,191,230)(H,192,232)(H,193,236)(H,194,241)(H,195,209)(H,196,223)(H,197,231)(H,210,211)(H,212,213)(H4,157,158,163)(H4,159,160,164)/t76-,77-,78-,79-,80+,81+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,118-,119-,120-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity to Orexin receptor type 1 was determined using laser scanning cytometry |
Bioorg Med Chem Lett 11: 737-40 (2001)
BindingDB Entry DOI: 10.7270/Q2988955 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50218748
(CHEMBL301209)Show InChI InChI=1S/C19H18N4O/c1-23-11-9-13-12-14(6-7-18(13)23)21-19(24)22-17-8-10-20-16-5-3-2-4-15(16)17/h2-8,10,12H,9,11H2,1H3,(H2,20,21,22,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 2B receptor |
Bioorg Med Chem Lett 11: 1907-10 (2001)
BindingDB Entry DOI: 10.7270/Q2G16318 |
More data for this Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(Homo sapiens (Human)) | BDBM50013515
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| PubMed
| 13.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1558-65 (1994)
BindingDB Entry DOI: 10.7270/Q2G73C76 |
More data for this Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM81444
(CAS_185453 | NSC_185453 | WB 4101 | WB-4101)Show InChI InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| PubMed
| 14.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1558-65 (1994)
BindingDB Entry DOI: 10.7270/Q2G73C76 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50218752
(CHEMBL56557)Show InChI InChI=1S/C17H14ClN3O2/c1-23-16-7-6-11(10-13(16)18)20-17(22)21-15-8-9-19-14-5-3-2-4-12(14)15/h2-10H,1H3,(H2,19,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 2B receptor |
Bioorg Med Chem Lett 11: 1907-10 (2001)
BindingDB Entry DOI: 10.7270/Q2G16318 |
More data for this Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(Homo sapiens (Human)) | BDBM81772
(ARC-239 | CAS_122211 | NSC_122211)Show SMILES COc1ccccc1N1CCN(CCC2C(=O)c3ccccc3C(C)(C)C2=O)CC1 Show InChI InChI=1S/C25H30N2O3/c1-25(2)20-9-5-4-8-18(20)23(28)19(24(25)29)12-13-26-14-16-27(17-15-26)21-10-6-7-11-22(21)30-3/h4-11,19H,12-17H2,1-3H3 | PDB
UniProtKB/SwissProt
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PC cid PC sid UniChem
Similars
| PubMed
| 19.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1558-65 (1994)
BindingDB Entry DOI: 10.7270/Q2G73C76 |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50419132
(CHEMBL1830967)Show SMILES O=C(CC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H27NO2/c29-26(22-13-5-2-6-14-22)19-18-23-15-9-10-20-28(23)27(30)25-17-8-7-16-24(25)21-11-3-1-4-12-21/h1-8,11-14,16-17,23H,9-10,15,18-20H2/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 19.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at recombinant human OX2R expressed in CHO cells by FLIPR calcium based functional assay |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086 BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50419137
(CHEMBL1830959)Show SMILES Fc1ccc(OCCC2CCCCN2C(=O)c2ccccc2-c2ccccc2)cc1 Show InChI InChI=1S/C26H26FNO2/c27-21-13-15-23(16-14-21)30-19-17-22-10-6-7-18-28(22)26(29)25-12-5-4-11-24(25)20-8-2-1-3-9-20/h1-5,8-9,11-16,22H,6-7,10,17-19H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 19.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at recombinant human OX2R expressed in CHO cells by FLIPR calcium based functional assay |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086 BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50419135
(CHEMBL1830962)Show SMILES O=C(NC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H26N2O2/c29-25(21-13-5-2-6-14-21)27-19-22-15-9-10-18-28(22)26(30)24-17-8-7-16-23(24)20-11-3-1-4-12-20/h1-8,11-14,16-17,22H,9-10,15,18-19H2,(H,27,29)/t22-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 19.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at recombinant human OX2R expressed in CHO cells by FLIPR calcium based functional assay |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086 BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50218750
(CHEMBL299498)Show InChI InChI=1S/C19H16N4O/c1-23-11-9-13-12-14(6-7-18(13)23)21-19(24)22-17-8-10-20-16-5-3-2-4-15(16)17/h2-12H,1H3,(H2,20,21,22,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 2C receptor |
Bioorg Med Chem Lett 11: 1907-10 (2001)
BindingDB Entry DOI: 10.7270/Q2G16318 |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50419134
(CHEMBL1830964)Show SMILES Fc1ccc(cc1)C(=O)NC[C@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C26H25FN2O2/c27-21-15-13-20(14-16-21)25(30)28-18-22-10-6-7-17-29(22)26(31)24-12-5-4-11-23(24)19-8-2-1-3-9-19/h1-5,8-9,11-16,22H,6-7,10,17-18H2,(H,28,30)/t22-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 31.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at recombinant human OX2R expressed in CHO cells by FLIPR calcium based functional assay |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086 BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50419139
(CHEMBL1830966)Show SMILES O=C(C[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)Nc1ccccc1 |r| Show InChI InChI=1S/C26H26N2O2/c29-25(27-21-13-5-2-6-14-21)19-22-15-9-10-18-28(22)26(30)24-17-8-7-16-23(24)20-11-3-1-4-12-20/h1-8,11-14,16-17,22H,9-10,15,18-19H2,(H,27,29)/t22-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 31.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at recombinant human OX2R expressed in CHO cells by FLIPR calcium based functional assay |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086 BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM81772
(ARC-239 | CAS_122211 | NSC_122211)Show SMILES COc1ccccc1N1CCN(CCC2C(=O)c3ccccc3C(C)(C)C2=O)CC1 Show InChI InChI=1S/C25H30N2O3/c1-25(2)20-9-5-4-8-18(20)23(28)19(24(25)29)12-13-26-14-16-27(17-15-26)21-10-6-7-11-22(21)30-3/h4-11,19H,12-17H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| PubMed
| 31.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1558-65 (1994)
BindingDB Entry DOI: 10.7270/Q2G73C76 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50218745
(CHEMBL57135)Show InChI InChI=1S/C20H22N4O/c1-3-24(4-2)16-11-9-15(10-12-16)22-20(25)23-19-13-14-21-18-8-6-5-7-17(18)19/h5-14H,3-4H2,1-2H3,(H2,21,22,23,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 2C receptor |
Bioorg Med Chem Lett 11: 1907-10 (2001)
BindingDB Entry DOI: 10.7270/Q2G16318 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50218749
(CHEMBL54062)Show InChI InChI=1S/C17H15N3OS/c1-22-13-8-6-12(7-9-13)19-17(21)20-16-10-11-18-15-5-3-2-4-14(15)16/h2-11H,1H3,(H2,18,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 2B receptor |
Bioorg Med Chem Lett 11: 1907-10 (2001)
BindingDB Entry DOI: 10.7270/Q2G16318 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50218749
(CHEMBL54062)Show InChI InChI=1S/C17H15N3OS/c1-22-13-8-6-12(7-9-13)19-17(21)20-16-10-11-18-15-5-3-2-4-14(15)16/h2-11H,1H3,(H2,18,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 2C receptor |
Bioorg Med Chem Lett 11: 1907-10 (2001)
BindingDB Entry DOI: 10.7270/Q2G16318 |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50419134
(CHEMBL1830964)Show SMILES Fc1ccc(cc1)C(=O)NC[C@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C26H25FN2O2/c27-21-15-13-20(14-16-21)25(30)28-18-22-10-6-7-17-29(22)26(31)24-12-5-4-11-23(24)19-8-2-1-3-9-19/h1-5,8-9,11-16,22H,6-7,10,17-18H2,(H,28,30)/t22-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 39.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at recombinant human OX1R expressed in CHO cells by FLIPR calcium based functional assay |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086 BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this Ligand-Target Pair | |