Found 94 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 receptor type 2
(Homo sapiens (Human)) | BDBM50028059
(CHEMBL3338866)Show SMILES COc1ccc(CNC(=O)c2cc(cnc2-c2ccccn2)-c2cncc(Cl)c2)nc1OC Show InChI InChI=1S/C24H20ClN5O3/c1-32-21-7-6-18(30-24(21)33-2)14-29-23(31)19-10-16(15-9-17(25)13-26-11-15)12-28-22(19)20-5-3-4-8-27-20/h3-13H,14H2,1-2H3,(H,29,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-((3H)-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2 rec... |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM50097380
(CHEMBL3586432)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C21H23N7O/c1-14-9-15(2)25-21(24-14)27-12-16-10-26(11-17(16)13-27)20(29)18-5-3-4-6-19(18)28-22-7-8-23-28/h3-9,16-17H,10-13H2,1-2H3/t16-,17+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to rat OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50412863
(CHEMBL359632 | JNJ-10397049)Show SMILES CC1(C)OC[C@H](NC(=O)Nc2ccc(Br)cc2Br)[C@@H](O1)c1ccccc1 |r| Show InChI InChI=1S/C19H20Br2N2O3/c1-19(2)25-11-16(17(26-19)12-6-4-3-5-7-12)23-18(24)22-15-9-8-13(20)10-14(15)21/h3-10,16-17H,11H2,1-2H3,(H2,22,23,24)/t16-,17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank 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 |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysis |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM50097388
(CHEMBL3586426)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-c1cccs1 |r| Show InChI InChI=1S/C23H24N4OS/c1-15-10-16(2)25-23(24-15)27-13-17-11-26(12-18(17)14-27)22(28)20-7-4-3-6-19(20)21-8-5-9-29-21/h3-10,17-18H,11-14H2,1-2H3/t17-,18+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to rat OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50097360
(CHEMBL3586440)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(C)cccc1-n1nccn1 |r| Show InChI InChI=1S/C22H25N7O/c1-14-5-4-6-19(29-23-7-8-24-29)20(14)21(30)27-10-17-12-28(13-18(17)11-27)22-25-15(2)9-16(3)26-22/h4-9,17-18H,10-13H2,1-3H3/t17-,18+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50097388
(CHEMBL3586426)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-c1cccs1 |r| Show InChI InChI=1S/C23H24N4OS/c1-15-10-16(2)25-23(24-15)27-13-17-11-26(12-18(17)14-27)22(28)20-7-4-3-6-19(20)21-8-5-9-29-21/h3-10,17-18H,11-14H2,1-2H3/t17-,18+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM50092814
(CHEMBL3586436)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(F)cccc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid UniChem
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Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to rat OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50092814
(CHEMBL3586436)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(F)cccc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50092813
(CHEMBL3586434)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccc(F)cc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-7-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)18-4-3-17(22)8-19(18)29-23-5-6-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM50092812
(CHEMBL3586433)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cccc(F)c1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)17-4-3-5-18(22)19(17)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to rat OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50097380
(CHEMBL3586432)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C21H23N7O/c1-14-9-15(2)25-21(24-14)27-12-16-10-26(11-17(16)13-27)20(29)18-5-3-4-6-19(18)28-22-7-8-23-28/h3-9,16-17H,10-13H2,1-2H3/t16-,17+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM50097360
(CHEMBL3586440)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(C)cccc1-n1nccn1 |r| Show InChI InChI=1S/C22H25N7O/c1-14-5-4-6-19(29-23-7-8-24-29)20(14)21(30)27-10-17-12-28(13-18(17)11-27)22-25-15(2)9-16(3)26-22/h4-9,17-18H,10-13H2,1-3H3/t17-,18+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to rat OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50092812
(CHEMBL3586433)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cccc(F)c1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)17-4-3-5-18(22)19(17)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM50092813
(CHEMBL3586434)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccc(F)cc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-7-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)18-4-3-17(22)8-19(18)29-23-5-6-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to rat OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50092810
(CHEMBL3586412)Show SMILES COc1cccc(OC)c1C(=O)N1CCCN(CC1)c1nc2ccc(Cl)cc2s1 Show InChI InChI=1S/C21H22ClN3O3S/c1-27-16-5-3-6-17(28-2)19(16)20(26)24-9-4-10-25(12-11-24)21-23-15-8-7-14(22)13-18(15)29-21/h3,5-8,13H,4,9-12H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-((3H)-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2 rec... |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50097384
(CHEMBL3586430)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(OCC)ccc2ccccc12 |r| Show InChI InChI=1S/C25H28N4O2/c1-4-31-22-10-9-18-7-5-6-8-21(18)23(22)24(30)28-12-19-14-29(15-20(19)13-28)25-26-16(2)11-17(3)27-25/h5-11,19-20H,4,12-15H2,1-3H3/t19-,20+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50097376
(CHEMBL3586435)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cc(F)ccc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-7-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)18-8-17(22)3-4-19(18)29-23-5-6-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50097379
(CHEMBL3586437)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-c1ncn[nH]1 |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM50097392
(CHEMBL3586441)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cc(OC)ccc1-n1nccn1 |r| Show InChI InChI=1S/C22H25N7O2/c1-14-8-15(2)26-22(25-14)28-12-16-10-27(11-17(16)13-28)21(30)19-9-18(31-3)4-5-20(19)29-23-6-7-24-29/h4-9,16-17H,10-13H2,1-3H3/t16-,17+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to rat OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM50097379
(CHEMBL3586437)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-c1ncn[nH]1 |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to rat OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50097381
(CHEMBL3586431)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(OC)cc(OC)n1)C(=O)c1ccccc1-c1cccs1 |r| Show InChI InChI=1S/C23H24N4O3S/c1-29-20-10-21(30-2)25-23(24-20)27-13-15-11-26(12-16(15)14-27)22(28)18-7-4-3-6-17(18)19-8-5-9-31-19/h3-10,15-16H,11-14H2,1-2H3/t15-,16+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50097392
(CHEMBL3586441)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cc(OC)ccc1-n1nccn1 |r| Show InChI InChI=1S/C22H25N7O2/c1-14-8-15(2)26-22(25-14)28-12-16-10-27(11-17(16)13-28)21(30)19-9-18(31-3)4-5-20(19)29-23-6-7-24-29/h4-9,16-17H,10-13H2,1-3H3/t16-,17+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM50092811
(CHEMBL3586442)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cc(Cl)ccc1-n1nccn1 |r| Show InChI InChI=1S/C21H22ClN7O/c1-13-7-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)18-8-17(22)3-4-19(18)29-23-5-6-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to rat OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50097387
(CHEMBL3586427)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(C)ccc2ccccc12 |r| Show InChI InChI=1S/C24H26N4O/c1-15-8-9-18-6-4-5-7-21(18)22(15)23(29)27-11-19-13-28(14-20(19)12-27)24-25-16(2)10-17(3)26-24/h4-10,19-20H,11-14H2,1-3H3/t19-,20+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50097374
(CHEMBL3586439)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cc(C)ccc1-n1nccn1 |r| Show InChI InChI=1S/C18H23N3O2/c1-21(2)14-7-12(8-14)16-9-19-17-4-3-11(6-15(16)17)5-13-10-23-18(22)20-13/h3-4,6,9,12-14,19H,5,7-8,10H2,1-2H3,(H,20,22)/t12?,13?,14- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50092811
(CHEMBL3586442)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cc(Cl)ccc1-n1nccn1 |r| Show InChI InChI=1S/C21H22ClN7O/c1-13-7-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)18-8-17(22)3-4-19(18)29-23-5-6-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50097385
(CHEMBL3586425)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1cnc2ccccc2n1)C(=O)c1ccccc1-c1cccs1 |r| Show InChI InChI=1S/C25H22N4OS/c30-25(20-7-2-1-6-19(20)23-10-5-11-31-23)29-15-17-13-28(14-18(17)16-29)24-12-26-21-8-3-4-9-22(21)27-24/h1-12,17-18H,13-16H2/t17-,18+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 106 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50097377
(CHEMBL3586438)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cccc(C)c1-n1nccn1 |r| Show InChI InChI=1S/C22H25N7O/c1-14-5-4-6-19(20(14)29-23-7-8-24-29)21(30)27-10-17-12-28(13-18(17)11-27)22-25-15(2)9-16(3)26-22/h4-9,17-18H,10-13H2,1-3H3/t17-,18+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50092819
(CHEMBL3586420)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccc(F)cc2s1)C(=O)c1ccccc1-c1cccs1 |r| Show InChI InChI=1S/C24H20FN3OS2/c25-17-7-8-20-22(10-17)31-24(26-20)28-13-15-11-27(12-16(15)14-28)23(29)19-5-2-1-4-18(19)21-6-3-9-30-21/h1-10,15-16H,11-14H2/t15-,16+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 137 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate by LC-MS/MS analysis |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50097383
(CHEMBL3586428)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nccc(OC)n1)C(=O)c1c(C)ccc2ccccc12 |r| Show InChI InChI=1S/C23H24N4O2/c1-15-7-8-16-5-3-4-6-19(16)21(15)22(28)26-11-17-13-27(14-18(17)12-26)23-24-10-9-20(25-23)29-2/h3-10,17-18H,11-14H2,1-2H3/t17-,18+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 141 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50097382
(CHEMBL3586429)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-c1cccc(F)c1 |r| Show InChI InChI=1S/C25H25FN4O/c1-16-10-17(2)28-25(27-16)30-14-19-12-29(13-20(19)15-30)24(31)23-9-4-3-8-22(23)18-6-5-7-21(26)11-18/h3-11,19-20H,12-15H2,1-2H3/t19-,20+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50092810
(CHEMBL3586412)Show SMILES COc1cccc(OC)c1C(=O)N1CCCN(CC1)c1nc2ccc(Cl)cc2s1 Show InChI InChI=1S/C21H22ClN3O3S/c1-27-16-5-3-6-17(28-2)19(16)20(26)24-9-4-10-25(12-11-24)21-23-15-8-7-14(22)13-18(15)29-21/h3,5-8,13H,4,9-12H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 216 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]EMPA from human OX2 receptor expressed in human PFSK-1 cells |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50097391
(CHEMBL3586422)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1cnc2ccccc2n1)C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C27H24N4O/c32-27(23-11-5-4-10-22(23)19-8-2-1-3-9-19)31-17-20-15-30(16-21(20)18-31)26-14-28-24-12-6-7-13-25(24)29-26/h1-14,20-21H,15-18H2/t20-,21+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50097381
(CHEMBL3586431)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(OC)cc(OC)n1)C(=O)c1ccccc1-c1cccs1 |r| Show InChI InChI=1S/C23H24N4O3S/c1-29-20-10-21(30-2)25-23(24-20)27-13-15-11-26(12-16(15)14-27)22(28)18-7-4-3-6-17(18)19-8-5-9-31-19/h3-10,15-16H,11-14H2,1-2H3/t15-,16+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 257 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-((3H)-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2 rec... |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50092819
(CHEMBL3586420)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccc(F)cc2s1)C(=O)c1ccccc1-c1cccs1 |r| Show InChI InChI=1S/C24H20FN3OS2/c25-17-7-8-20-22(10-17)31-24(26-20)28-13-15-11-27(12-16(15)14-28)23(29)19-5-2-1-4-18(19)21-6-3-9-30-21/h1-10,15-16H,11-14H2/t15-,16+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 267 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX1 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50092818
(CHEMBL3586419)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccc(F)cc2s1)C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C26H22FN3OS/c27-20-10-11-23-24(12-20)32-26(28-23)30-15-18-13-29(14-19(18)16-30)25(31)22-9-5-4-8-21(22)17-6-2-1-3-7-17/h1-12,18-19H,13-16H2/t18-,19+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 294 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50097360
(CHEMBL3586440)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(C)cccc1-n1nccn1 |r| Show InChI InChI=1S/C22H25N7O/c1-14-5-4-6-19(29-23-7-8-24-29)20(14)21(30)27-10-17-12-28(13-18(17)11-27)22-25-15(2)9-16(3)26-22/h4-9,17-18H,10-13H2,1-3H3/t17-,18+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 346 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX1 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50097389
(CHEMBL3586421)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nccc(n1)-c1ccccc1)C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C29H26N4O/c34-28(26-14-8-7-13-25(26)21-9-3-1-4-10-21)32-17-23-19-33(20-24(23)18-32)29-30-16-15-27(31-29)22-11-5-2-6-12-22/h1-16,23-24H,17-20H2/t23-,24+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 421 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50097388
(CHEMBL3586426)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-c1cccs1 |r| Show InChI InChI=1S/C23H24N4OS/c1-15-10-16(2)25-23(24-15)27-13-17-11-26(12-18(17)14-27)22(28)20-7-4-3-6-19(20)21-8-5-9-29-21/h3-10,17-18H,11-14H2,1-2H3/t17-,18+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 471 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX1 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50092815
(CHEMBL3586414)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccc(Cl)cc2s1)C(=O)c1ccc(OC)cc1OC |r| Show InChI InChI=1S/C22H22ClN3O3S/c1-28-16-4-5-17(19(8-16)29-2)21(27)25-9-13-11-26(12-14(13)10-25)22-24-18-6-3-15(23)7-20(18)30-22/h3-8,13-14H,9-12H2,1-2H3/t13-,14+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate by LC-MS/MS analysis |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50097384
(CHEMBL3586430)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(OCC)ccc2ccccc12 |r| Show InChI InChI=1S/C25H28N4O2/c1-4-31-22-10-9-18-7-5-6-8-21(18)23(22)24(30)28-12-19-14-29(15-20(19)13-28)25-26-16(2)11-17(3)27-25/h5-11,19-20H,4,12-15H2,1-3H3/t19-,20+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 557 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX1 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50097385
(CHEMBL3586425)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1cnc2ccccc2n1)C(=O)c1ccccc1-c1cccs1 |r| Show InChI InChI=1S/C25H22N4OS/c30-25(20-7-2-1-6-19(20)23-10-5-11-31-23)29-15-17-13-28(14-18(17)16-29)24-12-26-21-8-3-4-9-22(21)27-24/h1-12,17-18H,13-16H2/t17-,18+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 623 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX1 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50092816
(CHEMBL3586415)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccc(C)cc2s1)C(=O)c1ccc(OC)cc1OC |r| Show InChI InChI=1S/C23H25N3O3S/c1-14-4-7-19-21(8-14)30-23(24-19)26-12-15-10-25(11-16(15)13-26)22(27)18-6-5-17(28-2)9-20(18)29-3/h4-9,15-16H,10-13H2,1-3H3/t15-,16+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate by LC-MS/MS analysis |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50097377
(CHEMBL3586438)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cccc(C)c1-n1nccn1 |r| Show InChI InChI=1S/C22H25N7O/c1-14-5-4-6-19(20(14)29-23-7-8-24-29)21(30)27-10-17-12-28(13-18(17)11-27)22-25-15(2)9-16(3)26-22/h4-9,17-18H,10-13H2,1-3H3/t17-,18+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50092817
(CHEMBL3586418)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccccc2s1)C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C26H23N3OS/c30-25(22-11-5-4-10-21(22)18-8-2-1-3-9-18)28-14-19-16-29(17-20(19)15-28)26-27-23-12-6-7-13-24(23)31-26/h1-13,19-20H,14-17H2/t19-,20+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 687 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50097375
(CHEMBL3586417)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccc(F)cc2s1)C(=O)c1ccc(OC)cc1OC |r| Show InChI InChI=1S/C22H22FN3O3S/c1-28-16-4-5-17(19(8-16)29-2)21(27)25-9-13-11-26(12-14(13)10-25)22-24-18-6-3-15(23)7-20(18)30-22/h3-8,13-14H,9-12H2,1-2H3/t13-,14+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 746 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysis |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50097389
(CHEMBL3586421)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nccc(n1)-c1ccccc1)C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C29H26N4O/c34-28(26-14-8-7-13-25(26)21-9-3-1-4-10-21)32-17-23-19-33(20-24(23)18-32)29-30-16-15-27(31-29)22-11-5-2-6-12-22/h1-16,23-24H,17-20H2/t23-,24+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 765 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX1 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50097386
(CHEMBL3586424)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1cnc2ccccc2n1)C(=O)c1ccccc1-n1cccn1 |r| Show InChI InChI=1S/C24H22N6O/c31-24(19-6-1-4-9-22(19)30-11-5-10-26-30)29-15-17-13-28(14-18(17)16-29)23-12-25-20-7-2-3-8-21(20)27-23/h1-12,17-18H,13-16H2/t17-,18+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 768 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50092814
(CHEMBL3586436)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(F)cccc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50097378
(CHEMBL3586416)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccc(OC)cc2s1)C(=O)c1ccc(OC)cc1OC |r| Show InChI InChI=1S/C23H25N3O4S/c1-28-16-4-6-18(20(8-16)30-3)22(27)25-10-14-12-26(13-15(14)11-25)23-24-19-7-5-17(29-2)9-21(19)31-23/h4-9,14-15H,10-13H2,1-3H3/t14-,15+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 875 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysis |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50097390
(CHEMBL3586423)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nccc(C)n1)C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C24H24N4O/c1-17-11-12-25-24(26-17)28-15-19-13-27(14-20(19)16-28)23(29)22-10-6-5-9-21(22)18-7-3-2-4-8-18/h2-12,19-20H,13-16H2,1H3/t19-,20+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 899 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50092818
(CHEMBL3586419)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccc(F)cc2s1)C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C26H22FN3OS/c27-20-10-11-23-24(12-20)32-26(28-23)30-15-18-13-29(14-19(18)16-30)25(31)22-9-5-4-8-21(22)17-6-2-1-3-7-17/h1-12,18-19H,13-16H2/t18-,19+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 925 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX1 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50097391
(CHEMBL3586422)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1cnc2ccccc2n1)C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C27H24N4O/c32-27(23-11-5-4-10-22(23)19-8-2-1-3-9-19)31-17-20-15-30(16-21(20)18-31)26-14-28-24-12-6-7-13-25(24)29-26/h1-14,20-21H,15-18H2/t20-,21+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX1 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50092817
(CHEMBL3586418)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccccc2s1)C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C26H23N3OS/c30-25(22-11-5-4-10-21(22)18-8-2-1-3-9-18)28-14-19-16-29(17-20(19)15-28)26-27-23-12-6-7-13-24(23)31-26/h1-13,19-20H,14-17H2/t19-,20+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX1 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50028059
(CHEMBL3338866)Show SMILES COc1ccc(CNC(=O)c2cc(cnc2-c2ccccn2)-c2cncc(Cl)c2)nc1OC Show InChI InChI=1S/C24H20ClN5O3/c1-32-21-7-6-18(30-24(21)33-2)14-29-23(31)19-10-16(15-9-17(25)13-26-11-15)12-28-22(19)20-5-3-4-8-27-20/h3-13H,14H2,1-2H3,(H,29,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX1 receptor expressed in CHO cell membranes by scintillation counting analysis |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50092809
(CHEMBL3586413)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccc(Cl)cc2s1)C(=O)c1c(OC)cccc1OC |r| Show InChI InChI=1S/C22H22ClN3O3S/c1-28-17-4-3-5-18(29-2)20(17)21(27)25-9-13-11-26(12-14(13)10-25)22-24-16-7-6-15(23)8-19(16)30-22/h3-8,13-14H,9-12H2,1-2H3/t13-,14+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [125I]-orexin A from OX1 receptor (unknown origin) expressed in CHOK1 cells after 90 to 120 mins by scintillation counting analysis |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50097380
(CHEMBL3586432)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C21H23N7O/c1-14-9-15(2)25-21(24-14)27-12-16-10-26(11-17(16)13-27)20(29)18-5-3-4-6-19(18)28-22-7-8-23-28/h3-9,16-17H,10-13H2,1-2H3/t16-,17+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-((3H)-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2 rec... |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50097387
(CHEMBL3586427)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(C)ccc2ccccc12 |r| Show InChI InChI=1S/C24H26N4O/c1-15-8-9-18-6-4-5-7-21(18)22(15)23(29)27-11-19-13-28(14-20(19)12-27)24-25-16(2)10-17(3)26-24/h4-10,19-20H,11-14H2,1-3H3/t19-,20+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX1 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50092813
(CHEMBL3586434)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccc(F)cc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-7-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)18-4-3-17(22)8-19(18)29-23-5-6-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX1 receptor expressed in CHO cell membranes by scintillation counting analysis |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50092809
(CHEMBL3586413)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccc(Cl)cc2s1)C(=O)c1c(OC)cccc1OC |r| Show InChI InChI=1S/C22H22ClN3O3S/c1-28-17-4-3-5-18(29-2)20(17)21(27)25-9-13-11-26(12-14(13)10-25)22-24-16-7-6-15(23)8-19(16)30-22/h3-8,13-14H,9-12H2,1-2H3/t13-,14+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to rat OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50092812
(CHEMBL3586433)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cccc(F)c1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)17-4-3-5-18(22)19(17)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX1 receptor expressed in CHO cell membranes by scintillation counting analysis |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50097374
(CHEMBL3586439)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cc(C)ccc1-n1nccn1 |r| Show InChI InChI=1S/C18H23N3O2/c1-21(2)14-7-12(8-14)16-9-19-17-4-3-11(6-15(16)17)5-13-10-23-18(22)20-13/h3-4,6,9,12-14,19H,5,7-8,10H2,1-2H3,(H,20,22)/t12?,13?,14- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX1 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50412863
(CHEMBL359632 | JNJ-10397049)Show SMILES CC1(C)OC[C@H](NC(=O)Nc2ccc(Br)cc2Br)[C@@H](O1)c1ccccc1 |r| Show InChI InChI=1S/C19H20Br2N2O3/c1-19(2)25-11-16(17(26-19)12-6-4-3-5-7-12)23-18(24)22-15-9-8-13(20)10-14(15)21/h3-10,16-17H,11H2,1-2H3,(H2,22,23,24)/t16-,17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50097383
(CHEMBL3586428)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nccc(OC)n1)C(=O)c1c(C)ccc2ccccc12 |r| Show InChI InChI=1S/C23H24N4O2/c1-15-7-8-16-5-3-4-6-19(16)21(15)22(28)26-11-17-13-27(14-18(17)12-26)23-24-10-9-20(25-23)29-2/h3-10,17-18H,11-14H2,1-2H3/t17-,18+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX1 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50097379
(CHEMBL3586437)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-c1ncn[nH]1 |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50092811
(CHEMBL3586442)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cc(Cl)ccc1-n1nccn1 |r| Show InChI InChI=1S/C21H22ClN7O/c1-13-7-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)18-8-17(22)3-4-19(18)29-23-5-6-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX1 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50092815
(CHEMBL3586414)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccc(Cl)cc2s1)C(=O)c1ccc(OC)cc1OC |r| Show InChI InChI=1S/C22H22ClN3O3S/c1-28-16-4-5-17(19(8-16)29-2)21(27)25-9-13-11-26(12-14(13)10-25)22-24-18-6-3-15(23)7-20(18)30-22/h3-8,13-14H,9-12H2,1-2H3/t13-,14+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX1 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50097392
(CHEMBL3586441)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cc(OC)ccc1-n1nccn1 |r| Show InChI InChI=1S/C22H25N7O2/c1-14-8-15(2)26-22(25-14)28-12-16-10-27(11-17(16)13-28)21(30)19-9-18(31-3)4-5-20(19)29-23-6-7-24-29/h4-9,16-17H,10-13H2,1-3H3/t16-,17+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX1 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50097376
(CHEMBL3586435)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cc(F)ccc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-7-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)18-8-17(22)3-4-19(18)29-23-5-6-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50092809
(CHEMBL3586413)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccc(Cl)cc2s1)C(=O)c1c(OC)cccc1OC |r| Show InChI InChI=1S/C22H22ClN3O3S/c1-28-17-4-3-5-18(29-2)20(17)21(27)25-9-13-11-26(12-14(13)10-25)22-24-16-7-6-15(23)8-19(16)30-22/h3-8,13-14H,9-12H2,1-2H3/t13-,14+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX1 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50097390
(CHEMBL3586423)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nccc(C)n1)C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C24H24N4O/c1-17-11-12-25-24(26-17)28-15-19-13-27(14-20(19)16-28)23(29)22-10-6-5-9-21(22)18-7-3-2-4-8-18/h2-12,19-20H,13-16H2,1H3/t19-,20+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX1 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50097382
(CHEMBL3586429)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-c1cccc(F)c1 |r| Show InChI InChI=1S/C25H25FN4O/c1-16-10-17(2)28-25(27-16)30-14-19-12-29(13-20(19)15-30)24(31)23-9-4-3-8-22(23)18-6-5-7-21(26)11-18/h3-11,19-20H,12-15H2,1-2H3/t19-,20+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX1 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50097375
(CHEMBL3586417)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccc(F)cc2s1)C(=O)c1ccc(OC)cc1OC |r| Show InChI InChI=1S/C22H22FN3O3S/c1-28-16-4-5-17(19(8-16)29-2)21(27)25-9-13-11-26(12-14(13)10-25)22-24-18-6-3-15(23)7-20(18)30-22/h3-8,13-14H,9-12H2,1-2H3/t13-,14+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX1 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50092816
(CHEMBL3586415)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccc(C)cc2s1)C(=O)c1ccc(OC)cc1OC |r| Show InChI InChI=1S/C23H25N3O3S/c1-14-4-7-19-21(8-14)30-23(24-19)26-12-15-10-25(11-16(15)13-26)22(27)18-6-5-17(28-2)9-20(18)29-3/h4-9,15-16H,10-13H2,1-3H3/t15-,16+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX1 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50097386
(CHEMBL3586424)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1cnc2ccccc2n1)C(=O)c1ccccc1-n1cccn1 |r| Show InChI InChI=1S/C24H22N6O/c31-24(19-6-1-4-9-22(19)30-11-5-10-26-30)29-15-17-13-28(14-18(17)16-29)23-12-25-20-7-2-3-8-21(20)27-23/h1-12,17-18H,13-16H2/t17-,18+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX1 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50097378
(CHEMBL3586416)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccc(OC)cc2s1)C(=O)c1ccc(OC)cc1OC |r| Show InChI InChI=1S/C23H25N3O4S/c1-28-16-4-6-18(20(8-16)30-3)22(27)25-10-14-12-26(13-15(14)11-25)23-24-19-7-5-17(29-2)9-21(19)31-23/h4-9,14-15H,10-13H2,1-3H3/t14-,15+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX1 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50092812
(CHEMBL3586433)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cccc(F)c1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)17-4-3-5-18(22)19(17)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysis |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50092812
(CHEMBL3586433)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cccc(F)c1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)17-4-3-5-18(22)19(17)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of [3H]-astemizole binding to human ERG expressed in HEK293 cells |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50097360
(CHEMBL3586440)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(C)cccc1-n1nccn1 |r| Show InChI InChI=1S/C22H25N7O/c1-14-5-4-6-19(29-23-7-8-24-29)20(14)21(30)27-10-17-12-28(13-18(17)11-27)22-25-15(2)9-16(3)26-22/h4-9,17-18H,10-13H2,1-3H3/t17-,18+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of [3H]-astemizole binding to human ERG expressed in HEK293 cells |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50097392
(CHEMBL3586441)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cc(OC)ccc1-n1nccn1 |r| Show InChI InChI=1S/C22H25N7O2/c1-14-8-15(2)26-22(25-14)28-12-16-10-27(11-17(16)13-28)21(30)19-9-18(31-3)4-5-20(19)29-23-6-7-24-29/h4-9,16-17H,10-13H2,1-3H3/t16-,17+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of [3H]-astemizole binding to human ERG expressed in HEK293 cells |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50092813
(CHEMBL3586434)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccc(F)cc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-7-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)18-4-3-17(22)8-19(18)29-23-5-6-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysis |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50097388
(CHEMBL3586426)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-c1cccs1 |r| Show InChI InChI=1S/C23H24N4OS/c1-15-10-16(2)25-23(24-15)27-13-17-11-26(12-18(17)14-27)22(28)20-7-4-3-6-19(20)21-8-5-9-29-21/h3-10,17-18H,11-14H2,1-2H3/t17-,18+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [125I]-orexin A from OX2 receptor (unknown origin) expressed in CHOK1 cells after 90 to 120 mins by scintillation counting analysis |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50092814
(CHEMBL3586436)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(F)cccc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50097374
(CHEMBL3586439)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cc(C)ccc1-n1nccn1 |r| Show InChI InChI=1S/C18H23N3O2/c1-21(2)14-7-12(8-14)16-9-19-17-4-3-11(6-15(16)17)5-13-10-23-18(22)20-13/h3-4,6,9,12-14,19H,5,7-8,10H2,1-2H3,(H,20,22)/t12?,13?,14- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of [3H]-astemizole binding to human ERG expressed in HEK293 cells |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50097379
(CHEMBL3586437)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-c1ncn[nH]1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of [3H]-astemizole binding to human ERG expressed in HEK293 cells |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50097376
(CHEMBL3586435)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cc(F)ccc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-7-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)18-8-17(22)3-4-19(18)29-23-5-6-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of [3H]-astemizole binding to human ERG expressed in HEK293 cells |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50092814
(CHEMBL3586436)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(F)cccc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate by LC-MS/MS analysis |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50092814
(CHEMBL3586436)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(F)cccc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of [3H]-astemizole binding to human ERG expressed in HEK293 cells |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50097380
(CHEMBL3586432)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C21H23N7O/c1-14-9-15(2)25-21(24-14)27-12-16-10-26(11-17(16)13-27)20(29)18-5-3-4-6-19(18)28-22-7-8-23-28/h3-9,16-17H,10-13H2,1-2H3/t16-,17+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of [3H]-astemizole binding to human ERG expressed in HEK293 cells |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50092814
(CHEMBL3586436)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(F)cccc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50092814
(CHEMBL3586436)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(F)cccc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate by LC-MS/MS analysis |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50092814
(CHEMBL3586436)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(F)cccc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50092813
(CHEMBL3586434)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccc(F)cc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-7-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)18-4-3-17(22)8-19(18)29-23-5-6-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of [3H]-astemizole binding to human ERG expressed in HEK293 cells |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50092814
(CHEMBL3586436)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(F)cccc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysis |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this Ligand-Target Pair | |