Found 25 hits of Enzyme Inhibition Constant Data 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/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50121214
(CHEMBL3623075)Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1)-c1cccc(c1)C(=O)N(C)C Show InChI InChI=1S/C32H34N4O5S/c1-22-8-5-10-25(18-22)31(37)34-17-16-33-27-12-7-13-28(21-27)35-42(39,40)30-20-24(14-15-29(30)41-4)23-9-6-11-26(19-23)32(38)36(2)3/h5-15,18-21,33,35H,16-17H2,1-4H3,(H,34,37) | PDB
Reactome pathway
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CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [125I]orexin-A from human OX1R expressed in CHO cell membranes by scintillation counting method |
J Med Chem 58: 7931-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00988
BindingDB Entry DOI: 10.7270/Q2GH9KSW |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50121214
(CHEMBL3623075)Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1)-c1cccc(c1)C(=O)N(C)C Show InChI InChI=1S/C32H34N4O5S/c1-22-8-5-10-25(18-22)31(37)34-17-16-33-27-12-7-13-28(21-27)35-42(39,40)30-20-24(14-15-29(30)41-4)23-9-6-11-26(19-23)32(38)36(2)3/h5-15,18-21,33,35H,16-17H2,1-4H3,(H,34,37) | PDB
Reactome pathway
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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| 770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [125I]orexin-A from human OX2R expressed in HEK293 cell membranes by scintillation counting method |
J Med Chem 58: 7931-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00988
BindingDB Entry DOI: 10.7270/Q2GH9KSW |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50121323
(CHEMBL3623079)Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2N(C)C)c1)-c1cccc(c1)C(=O)N(C)C Show InChI InChI=1S/C33H37N5O5S/c1-37(2)29-15-7-6-14-28(29)32(39)35-19-18-34-26-12-9-13-27(22-26)36-44(41,42)31-21-24(16-17-30(31)43-5)23-10-8-11-25(20-23)33(40)38(3)4/h6-17,20-22,34,36H,18-19H2,1-5H3,(H,35,39) | PDB
Reactome pathway
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CHEMBL
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PC cid
PC sid
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| n/a | n/a | n/a | n/a | 28 | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Agonist activity at human OX2R expressed in CHOK1 cells by NFAT-response luciferase reporter gene assay |
J Med Chem 58: 7931-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00988
BindingDB Entry DOI: 10.7270/Q2GH9KSW |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50121310
(CHEMBL3623076)Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2Cl)c1)-c1cccc(c1)C(=O)N(C)C Show InChI InChI=1S/C31H31ClN4O5S/c1-36(2)31(38)23-9-6-8-21(18-23)22-14-15-28(41-3)29(19-22)42(39,40)35-25-11-7-10-24(20-25)33-16-17-34-30(37)26-12-4-5-13-27(26)32/h4-15,18-20,33,35H,16-17H2,1-3H3,(H,34,37) | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.13E+3 | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Agonist activity at human OX1R expressed in CHOK1 cells by calcium mobilization assay |
J Med Chem 58: 7931-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00988
BindingDB Entry DOI: 10.7270/Q2GH9KSW |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50121216
(CHEMBL3622419)Show SMILES COc1cccc(c1)-c1ccc(OC)c(c1)S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2OC)c1 Show InChI InChI=1S/C30H31N3O6S/c1-37-25-11-6-8-21(18-25)22-14-15-28(39-3)29(19-22)40(35,36)33-24-10-7-9-23(20-24)31-16-17-32-30(34)26-12-4-5-13-27(26)38-2/h4-15,18-20,31,33H,16-17H2,1-3H3,(H,32,34) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | n/a | n/a | 800 | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Agonist activity at human OX2R expressed in CHOK1 cells by NFAT-response luciferase reporter gene assay |
J Med Chem 58: 7931-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00988
BindingDB Entry DOI: 10.7270/Q2GH9KSW |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50121309
(CHEMBL3623074)Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2C)c1)-c1cccc(c1)C(=O)N(C)C Show InChI InChI=1S/C32H34N4O5S/c1-22-9-5-6-14-28(22)31(37)34-18-17-33-26-12-8-13-27(21-26)35-42(39,40)30-20-24(15-16-29(30)41-4)23-10-7-11-25(19-23)32(38)36(2)3/h5-16,19-21,33,35H,17-18H2,1-4H3,(H,34,37) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | n/a | 800 | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Agonist activity at human OX2R expressed in CHOK1 cells by NFAT-response luciferase reporter gene assay |
J Med Chem 58: 7931-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00988
BindingDB Entry DOI: 10.7270/Q2GH9KSW |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50121311
(CHEMBL3623077)Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(Cl)c2)c1)-c1cccc(c1)C(=O)N(C)C Show InChI InChI=1S/C31H31ClN4O5S/c1-36(2)31(38)24-9-4-7-21(17-24)22-13-14-28(41-3)29(19-22)42(39,40)35-27-12-6-11-26(20-27)33-15-16-34-30(37)23-8-5-10-25(32)18-23/h4-14,17-20,33,35H,15-16H2,1-3H3,(H,34,37) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | n/a | n/a | 5.72E+3 | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Agonist activity at human OX1R expressed in CHOK1 cells by calcium mobilization assay |
J Med Chem 58: 7931-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00988
BindingDB Entry DOI: 10.7270/Q2GH9KSW |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50121323
(CHEMBL3623079)Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2N(C)C)c1)-c1cccc(c1)C(=O)N(C)C Show InChI InChI=1S/C33H37N5O5S/c1-37(2)29-15-7-6-14-28(29)32(39)35-19-18-34-26-12-9-13-27(22-26)36-44(41,42)31-21-24(16-17-30(31)43-5)23-10-8-11-25(20-23)33(40)38(3)4/h6-17,20-22,34,36H,18-19H2,1-5H3,(H,35,39) | PDB
Reactome pathway
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.75E+3 | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Agonist activity at human OX1R expressed in CHOK1 cells by calcium mobilization assay |
J Med Chem 58: 7931-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00988
BindingDB Entry DOI: 10.7270/Q2GH9KSW |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50121262
(CHEMBL3622425)Show SMILES COc1ccccc1C(=O)NCCNc1cccc(NS(=O)(=O)c2cc(ccc2OC)-c2cccc(F)c2)c1 Show InChI InChI=1S/C29H28FN3O5S/c1-37-26-12-4-3-11-25(26)29(34)32-16-15-31-23-9-6-10-24(19-23)33-39(35,36)28-18-21(13-14-27(28)38-2)20-7-5-8-22(30)17-20/h3-14,17-19,31,33H,15-16H2,1-2H3,(H,32,34) | PDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Agonist activity at human OX2R expressed in CHOK1 cells by NFAT-response luciferase reporter gene assay |
J Med Chem 58: 7931-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00988
BindingDB Entry DOI: 10.7270/Q2GH9KSW |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50121306
(CHEMBL3622427)Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2)c1)-c1cccc(c1)C(=O)N(C)C Show InChI InChI=1S/C31H32N4O5S/c1-35(2)31(37)25-12-7-11-23(19-25)24-15-16-28(40-3)29(20-24)41(38,39)34-27-14-8-13-26(21-27)32-17-18-33-30(36)22-9-5-4-6-10-22/h4-16,19-21,32,34H,17-18H2,1-3H3,(H,33,36) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Agonist activity at human OX2R expressed in CHOK1 cells by NFAT-response luciferase reporter gene assay |
J Med Chem 58: 7931-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00988
BindingDB Entry DOI: 10.7270/Q2GH9KSW |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50121308
(CHEMBL3622429)Show SMILES COc1ccc(cc1)C(=O)NCCNc1cccc(NS(=O)(=O)c2cc(ccc2OC)-c2cccc(c2)C(=O)N(C)C)c1 Show InChI InChI=1S/C32H34N4O6S/c1-36(2)32(38)25-8-5-7-23(19-25)24-13-16-29(42-4)30(20-24)43(39,40)35-27-10-6-9-26(21-27)33-17-18-34-31(37)22-11-14-28(41-3)15-12-22/h5-16,19-21,33,35H,17-18H2,1-4H3,(H,34,37) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Agonist activity at human OX2R expressed in CHOK1 cells by NFAT-response luciferase reporter gene assay |
J Med Chem 58: 7931-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00988
BindingDB Entry DOI: 10.7270/Q2GH9KSW |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50121214
(CHEMBL3623075)Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1)-c1cccc(c1)C(=O)N(C)C Show InChI InChI=1S/C32H34N4O5S/c1-22-8-5-10-25(18-22)31(37)34-17-16-33-27-12-7-13-28(21-27)35-42(39,40)30-20-24(14-15-29(30)41-4)23-9-6-11-26(19-23)32(38)36(2)3/h5-15,18-21,33,35H,16-17H2,1-4H3,(H,34,37) | PDB
Reactome pathway
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 23 | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Agonist activity at human OX2R expressed in CHOK1 cells by NFAT-response luciferase reporter gene assay |
J Med Chem 58: 7931-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00988
BindingDB Entry DOI: 10.7270/Q2GH9KSW |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50121307
(CHEMBL3622428)Show SMILES COc1cccc(c1)C(=O)NCCNc1cccc(NS(=O)(=O)c2cc(ccc2OC)-c2cccc(c2)C(=O)N(C)C)c1 Show InChI InChI=1S/C32H34N4O6S/c1-36(2)32(38)25-10-5-8-22(18-25)23-14-15-29(42-4)30(20-23)43(39,40)35-27-12-7-11-26(21-27)33-16-17-34-31(37)24-9-6-13-28(19-24)41-3/h5-15,18-21,33,35H,16-17H2,1-4H3,(H,34,37) | PDB
Reactome pathway
KEGG
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.25E+3 | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Agonist activity at human OX1R expressed in CHOK1 cells by calcium mobilization assay |
J Med Chem 58: 7931-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00988
BindingDB Entry DOI: 10.7270/Q2GH9KSW |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50121218
(CHEMBL3622421)Show SMILES CNC(=O)c1cccc(c1)-c1ccc(OC)c(c1)S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2OC)c1 Show InChI InChI=1S/C31H32N4O6S/c1-32-30(36)23-9-6-8-21(18-23)22-14-15-28(41-3)29(19-22)42(38,39)35-25-11-7-10-24(20-25)33-16-17-34-31(37)26-12-4-5-13-27(26)40-2/h4-15,18-20,33,35H,16-17H2,1-3H3,(H,32,36)(H,34,37) | PDB
Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 182 | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Agonist activity at human OX2R expressed in CHOK1 cells by NFAT-response luciferase reporter gene assay |
J Med Chem 58: 7931-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00988
BindingDB Entry DOI: 10.7270/Q2GH9KSW |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50121219
(CHEMBL3622422)Show SMILES COc1ccccc1C(=O)NCCNc1cccc(NS(=O)(=O)c2cc(ccc2OC)-c2cccc(c2)C(=O)N(C)C)c1 Show InChI InChI=1S/C32H34N4O6S/c1-36(2)32(38)24-10-7-9-22(19-24)23-15-16-29(42-4)30(20-23)43(39,40)35-26-12-8-11-25(21-26)33-17-18-34-31(37)27-13-5-6-14-28(27)41-3/h5-16,19-21,33,35H,17-18H2,1-4H3,(H,34,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.23E+3 | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Agonist activity at human OX1R expressed in CHOK1 cells by calcium mobilization assay |
J Med Chem 58: 7931-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00988
BindingDB Entry DOI: 10.7270/Q2GH9KSW |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50121215
(CHEMBL3621218)Show SMILES COc1ccccc1C(=O)NCCNc1cccc(NS(=O)(=O)c2cc(ccc2OC)-c2ccccc2)c1 Show InChI InChI=1S/C29H29N3O5S/c1-36-26-14-7-6-13-25(26)29(33)31-18-17-30-23-11-8-12-24(20-23)32-38(34,35)28-19-22(15-16-27(28)37-2)21-9-4-3-5-10-21/h3-16,19-20,30,32H,17-18H2,1-2H3,(H,31,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Agonist activity at human OX2R expressed in CHOK1 cells by NFAT-response luciferase reporter gene assay |
J Med Chem 58: 7931-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00988
BindingDB Entry DOI: 10.7270/Q2GH9KSW |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50121221
(CHEMBL3622424)Show SMILES COc1ccccc1C(=O)NCCNc1cccc(NS(=O)(=O)c2cc(ccc2OC)-c2cccc(N)c2)c1 Show InChI InChI=1S/C29H30N4O5S/c1-37-26-12-4-3-11-25(26)29(34)32-16-15-31-23-9-6-10-24(19-23)33-39(35,36)28-18-21(13-14-27(28)38-2)20-7-5-8-22(30)17-20/h3-14,17-19,31,33H,15-16,30H2,1-2H3,(H,32,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Agonist activity at human OX2R expressed in CHOK1 cells by NFAT-response luciferase reporter gene assay |
J Med Chem 58: 7931-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00988
BindingDB Entry DOI: 10.7270/Q2GH9KSW |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50121214
(CHEMBL3623075)Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1)-c1cccc(c1)C(=O)N(C)C Show InChI InChI=1S/C32H34N4O5S/c1-22-8-5-10-25(18-22)31(37)34-17-16-33-27-12-7-13-28(21-27)35-42(39,40)30-20-24(14-15-29(30)41-4)23-9-6-11-26(19-23)32(38)36(2)3/h5-15,18-21,33,35H,16-17H2,1-4H3,(H,34,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.62E+3 | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Agonist activity at human OX1R expressed in CHOK1 cells by calcium mobilization assay |
J Med Chem 58: 7931-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00988
BindingDB Entry DOI: 10.7270/Q2GH9KSW |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50121217
(CHEMBL3622420)Show SMILES COC(=O)c1cccc(c1)-c1ccc(OC)c(c1)S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2OC)c1 Show InChI InChI=1S/C31H31N3O7S/c1-39-27-13-5-4-12-26(27)30(35)33-17-16-32-24-10-7-11-25(20-24)34-42(37,38)29-19-22(14-15-28(29)40-2)21-8-6-9-23(18-21)31(36)41-3/h4-15,18-20,32,34H,16-17H2,1-3H3,(H,33,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Agonist activity at human OX2R expressed in CHOK1 cells by NFAT-response luciferase reporter gene assay |
J Med Chem 58: 7931-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00988
BindingDB Entry DOI: 10.7270/Q2GH9KSW |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50121219
(CHEMBL3622422)Show SMILES COc1ccccc1C(=O)NCCNc1cccc(NS(=O)(=O)c2cc(ccc2OC)-c2cccc(c2)C(=O)N(C)C)c1 Show InChI InChI=1S/C32H34N4O6S/c1-36(2)32(38)24-10-7-9-22(19-24)23-15-16-29(42-4)30(20-23)43(39,40)35-26-12-8-11-25(21-26)33-17-18-34-31(37)27-13-5-6-14-28(27)41-3/h5-16,19-21,33,35H,17-18H2,1-4H3,(H,34,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Agonist activity at human OX2R expressed in CHOK1 cells by NFAT-response luciferase reporter gene assay |
J Med Chem 58: 7931-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00988
BindingDB Entry DOI: 10.7270/Q2GH9KSW |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50121220
(CHEMBL3622423)Show SMILES COc1ccccc1C(=O)NCCNc1cccc(NS(=O)(=O)c2cc(ccc2OC)-c2cccc(c2)C(=O)N2CCC2)c1 Show InChI InChI=1S/C33H34N4O6S/c1-42-29-13-4-3-12-28(29)32(38)35-17-16-34-26-10-6-11-27(22-26)36-44(40,41)31-21-24(14-15-30(31)43-2)23-8-5-9-25(20-23)33(39)37-18-7-19-37/h3-6,8-15,20-22,34,36H,7,16-19H2,1-2H3,(H,35,38) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 235 | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Agonist activity at human OX2R expressed in CHOK1 cells by NFAT-response luciferase reporter gene assay |
J Med Chem 58: 7931-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00988
BindingDB Entry DOI: 10.7270/Q2GH9KSW |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50121310
(CHEMBL3623076)Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2Cl)c1)-c1cccc(c1)C(=O)N(C)C Show InChI InChI=1S/C31H31ClN4O5S/c1-36(2)31(38)23-9-6-8-21(18-23)22-14-15-28(41-3)29(19-22)42(39,40)35-25-11-7-10-24(20-25)33-16-17-34-30(37)26-12-4-5-13-27(26)32/h4-15,18-20,33,35H,16-17H2,1-3H3,(H,34,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 31 | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Agonist activity at human OX2R expressed in CHOK1 cells by NFAT-response luciferase reporter gene assay |
J Med Chem 58: 7931-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00988
BindingDB Entry DOI: 10.7270/Q2GH9KSW |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50121311
(CHEMBL3623077)Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(Cl)c2)c1)-c1cccc(c1)C(=O)N(C)C Show InChI InChI=1S/C31H31ClN4O5S/c1-36(2)31(38)24-9-4-7-21(17-24)22-13-14-28(41-3)29(19-22)42(39,40)35-27-12-6-11-26(20-27)33-15-16-34-30(37)23-8-5-10-25(32)18-23/h4-14,17-20,33,35H,15-16H2,1-3H3,(H,34,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 94 | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Agonist activity at human OX2R expressed in CHOK1 cells by NFAT-response luciferase reporter gene assay |
J Med Chem 58: 7931-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00988
BindingDB Entry DOI: 10.7270/Q2GH9KSW |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50121265
(CHEMBL3622426)Show SMILES COc1ccccc1C(=O)NCCNc1cccc(NS(=O)(=O)c2cc(ccc2OC)-c2cccnc2)c1 Show InChI InChI=1S/C28H28N4O5S/c1-36-25-11-4-3-10-24(25)28(33)31-16-15-30-22-8-5-9-23(18-22)32-38(34,35)27-17-20(12-13-26(27)37-2)21-7-6-14-29-19-21/h3-14,17-19,30,32H,15-16H2,1-2H3,(H,31,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 268 | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Agonist activity at human OX2R expressed in CHOK1 cells by NFAT-response luciferase reporter gene assay |
J Med Chem 58: 7931-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00988
BindingDB Entry DOI: 10.7270/Q2GH9KSW |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50121307
(CHEMBL3622428)Show SMILES COc1cccc(c1)C(=O)NCCNc1cccc(NS(=O)(=O)c2cc(ccc2OC)-c2cccc(c2)C(=O)N(C)C)c1 Show InChI InChI=1S/C32H34N4O6S/c1-36(2)32(38)25-10-5-8-22(18-25)23-14-15-29(42-4)30(20-23)43(39,40)35-27-12-7-11-26(21-27)33-16-17-34-31(37)24-9-6-13-28(19-24)41-3/h5-15,18-21,33,35H,16-17H2,1-4H3,(H,34,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 33 | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Agonist activity at human OX2R expressed in CHOK1 cells by NFAT-response luciferase reporter gene assay |
J Med Chem 58: 7931-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00988
BindingDB Entry DOI: 10.7270/Q2GH9KSW |
More data for this
Ligand-Target Pair | |
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