Found 5224 hits with Last Name = 'port' 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
GoogleScholar AffyNet
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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
GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
Similars
| 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 | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50034267
(3-(benzo[d][1,3]dioxol-5-yl)-5-hydroxy-5-(4-methox...)Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C28H26O9/c1-31-19-8-6-18(7-9-19)28(30)20(11-16-12-23(32-2)26(34-4)24(13-16)33-3)25(27(29)37-28)17-5-10-21-22(14-17)36-15-35-21/h5-10,12-14,30H,11,15H2,1-4H3 | PDB
UniProtKB/SwissProt
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| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 1102-8 (1997)
BindingDB Entry DOI: 10.7270/Q2N0152V |
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
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| 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
UniProtKB/SwissProt
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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
UniProtKB/SwissProt
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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
Reactome pathway KEGG
UniProtKB/SwissProt
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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 | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50034267
(3-(benzo[d][1,3]dioxol-5-yl)-5-hydroxy-5-(4-methox...)Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C28H26O9/c1-31-19-8-6-18(7-9-19)28(30)20(11-16-12-23(32-2)26(34-4)24(13-16)33-3)25(27(29)37-28)17-5-10-21-22(14-17)36-15-35-21/h5-10,12-14,30H,11,15H2,1-4H3 | PDB
UniProtKB/SwissProt
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 1102-8 (1997)
BindingDB Entry DOI: 10.7270/Q2N0152V |
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
UniProtKB/SwissProt
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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
UniProtKB/SwissProt
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MCE PC cid PC sid UniChem
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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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Patents
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| PubMed
| 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 | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50034267
(3-(benzo[d][1,3]dioxol-5-yl)-5-hydroxy-5-(4-methox...)Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C28H26O9/c1-31-19-8-6-18(7-9-19)28(30)20(11-16-12-23(32-2)26(34-4)24(13-16)33-3)25(27(29)37-28)17-5-10-21-22(14-17)36-15-35-21/h5-10,12-14,30H,11,15H2,1-4H3 | PDB
UniProtKB/SwissProt
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| 0.920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 1102-8 (1997)
BindingDB Entry DOI: 10.7270/Q2N0152V |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50514249
(CHEMBL4436170)Show SMILES CC(C)C1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C25H32N2O2/c1-20(2)23-24(28)27(22-11-7-4-8-12-22)19-25(29-23)14-17-26(18-15-25)16-13-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ESTEVE Pharmaceuticals SA
Curated by ChEMBL
| Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2434-2454 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K |
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
UniProtKB/SwissProt
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| PubMed
| 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
Reactome pathway KEGG
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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
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
Similars
| 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
UniProtKB/SwissProt
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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
UniProtKB/SwissProt
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| PubMed
| 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 | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50555111
(CHEMBL4760287) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]-(+)-pentazocine from human sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation cou... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01575 BindingDB Entry DOI: 10.7270/Q21N84SG |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50555113
(CHEMBL4790686) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]-(+)-pentazocine from human sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation cou... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01575 BindingDB Entry DOI: 10.7270/Q21N84SG |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
UniProtKB/SwissProt
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| PDB Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]-(+)-pentazocine from human sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation cou... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01575 BindingDB Entry DOI: 10.7270/Q21N84SG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
UniProtKB/SwissProt
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| PDB Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ESTEVE Pharmaceuticals SA
Curated by ChEMBL
| Assay Description Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin... |
J Med Chem 63: 2434-2454 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
UniProtKB/SwissProt
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| PDB Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323 BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| 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 | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50514239
(CHEMBL4470425)Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cncc(F)c1 Show InChI InChI=1S/C22H26FN3O2/c1-17-21(27)26(20-13-19(23)14-24-15-20)16-22(28-17)8-11-25(12-9-22)10-7-18-5-3-2-4-6-18/h2-6,13-15,17H,7-12,16H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ESTEVE Pharmaceuticals SA
Curated by ChEMBL
| Assay Description Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin... |
J Med Chem 63: 2434-2454 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50514252
(CHEMBL4452042)Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1Cl Show InChI InChI=1S/C23H27ClN2O2/c1-18-22(27)26(21-10-6-5-9-20(21)24)17-23(28-18)12-15-25(16-13-23)14-11-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ESTEVE Pharmaceuticals SA
Curated by ChEMBL
| Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2434-2454 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50555109
(CHEMBL4759343)Show SMILES C[C@H]1CN(CCOCc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 |r| | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]-(+)-pentazocine from human sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation cou... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01575 BindingDB Entry DOI: 10.7270/Q21N84SG |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50514248
(CHEMBL4515812)Show SMILES CCC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C24H30N2O2/c1-2-22-23(27)26(21-11-7-4-8-12-21)19-24(28-22)14-17-25(18-15-24)16-13-20-9-5-3-6-10-20/h3-12,22H,2,13-19H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ESTEVE Pharmaceuticals SA
Curated by ChEMBL
| Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2434-2454 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50514273
(CHEMBL4516327)Show SMILES CC1(C)OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C24H30N2O2/c1-23(2)22(27)26(21-11-7-4-8-12-21)19-24(28-23)14-17-25(18-15-24)16-13-20-9-5-3-6-10-20/h3-12H,13-19H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ESTEVE Pharmaceuticals SA
Curated by ChEMBL
| Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2434-2454 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K |
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
antibodypedia GoogleScholar AffyNet
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| PubMed
| 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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| 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
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| 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
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| 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 | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM436444
((S)-9-methyl-6-(3-(3- (methylamino)-1- (thiophen-2...)Show SMILES CNCC[C@H](Oc1cccc(c1)N1CCN(C)c2nc(SC)ncc2C1=O)c1cccs1 |r| Show InChI InChI=1S/C23H27N5O2S2/c1-24-10-9-19(20-8-5-13-32-20)30-17-7-4-6-16(14-17)28-12-11-27(2)21-18(22(28)29)15-25-23(26-21)31-3/h4-8,13-15,19,24H,9-12H2,1-3H3/t19-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]-nisoxetine from human NET expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01867 BindingDB Entry DOI: 10.7270/Q2JW8JKT |
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
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CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
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| 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 | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077877
(CHEMBL3417042 | US9611229, 2)Show InChI InChI=1S/C15H19Cl2N5/c16-13-5-4-12(10-14(13)17)22-11-15(19-20-22)18-6-9-21-7-2-1-3-8-21/h4-5,10-11,18H,1-3,6-9H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description Displacement of [3H](+)-pentazocine from human sigma 1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50555104
(CHEMBL4762627) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]-(+)-pentazocine from human sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation cou... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01575 BindingDB Entry DOI: 10.7270/Q21N84SG |
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 | |
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 | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396404
(CHEMBL2170226)Show InChI InChI=1S/C16H19Cl2N3O/c1-12-10-16(22-9-8-20-6-2-3-7-20)19-21(12)13-4-5-14(17)15(18)11-13/h4-5,10-11H,2-3,6-9H2,1H3 | PDB
UniProtKB/SwissProt
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 |
Esteve
Curated by ChEMBL
| Assay Description Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323 BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396403
(CHEMBL2170227)Show InChI InChI=1S/C17H21Cl2N3O/c1-13-11-17(23-10-9-21-7-3-2-4-8-21)20-22(13)14-5-6-15(18)16(19)12-14/h5-6,11-12H,2-4,7-10H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323 BindingDB Entry DOI: 10.7270/Q2Z89DJM |
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 | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50514234
(CHEMBL4541206)Show InChI InChI=1S/C23H28N2O2/c1-19-22(26)25(21-10-6-3-7-11-21)18-23(27-19)13-16-24(17-14-23)15-12-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ESTEVE Pharmaceuticals SA
Curated by ChEMBL
| Assay Description Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin... |
J Med Chem 63: 2434-2454 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50514248
(CHEMBL4515812)Show SMILES CCC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C24H30N2O2/c1-2-22-23(27)26(21-11-7-4-8-12-21)19-24(28-22)14-17-25(18-15-24)16-13-20-9-5-3-6-10-20/h3-12,22H,2,13-19H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ESTEVE Pharmaceuticals SA
Curated by ChEMBL
| Assay Description Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin... |
J Med Chem 63: 2434-2454 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K |
More data for this Ligand-Target Pair | |