Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50043123 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)) | BDBM50436391
(CHEMBL2396865)Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(OC(F)F)cc3)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H29ClF2N4O2/c1-3-21-31-24(27)23-20(14-11-17-9-12-19(13-10-17)35-26(28)29)32(15-16-33(21)23)22(25(34)30-2)18-7-5-4-6-8-18/h4-10,12-13,20,22,26H,3,11,14-16H2,1-2H3,(H,30,34)/t20-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50436376
(CHEMBL2396842)Show SMILES CNC(=O)[C@H](N1CCn2c(nc(Cl)c2[C@@H]1CCc1ccc(OC(F)F)c(F)c1)C1CC1)c1ccccc1 |r| Show InChI InChI=1S/C27H28ClF3N4O2/c1-32-26(36)22(17-5-3-2-4-6-17)34-13-14-35-23(24(28)33-25(35)18-9-10-18)20(34)11-7-16-8-12-21(19(29)15-16)37-27(30)31/h2-6,8,12,15,18,20,22,27H,7,9-11,13-14H2,1H3,(H,32,36)/t20-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50436393
(CHEMBL2396863)Show SMILES CCc1nc(Cl)c2[C@H](COc3cccc(c3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C25H26ClF3N4O2/c1-3-20-31-23(26)22-19(15-35-18-11-7-10-17(14-18)25(27,28)29)32(12-13-33(20)22)21(24(34)30-2)16-8-5-4-6-9-16/h4-11,14,19,21H,3,12-13,15H2,1-2H3,(H,30,34)/t19-,21+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50436382
(CHEMBL2396836)Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(F)c(F)c3F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C25H26ClF3N4O/c1-3-19-31-24(26)23-18(12-10-15-9-11-17(27)21(29)20(15)28)32(13-14-33(19)23)22(25(34)30-2)16-7-5-4-6-8-16/h4-9,11,18,22H,3,10,12-14H2,1-2H3,(H,30,34)/t18-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50436389
(CHEMBL2396867)Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(c(F)c3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H27ClF4N4O/c1-3-21-33-24(27)23-20(12-10-16-9-11-18(19(28)15-16)26(29,30)31)34(13-14-35(21)23)22(25(36)32-2)17-7-5-4-6-8-17/h4-9,11,15,20,22H,3,10,12-14H2,1-2H3,(H,32,36)/t20-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50436379
(CHEMBL2396839)Show SMILES CNC(=O)[C@H](N1CCn2c(nc(Cl)c2[C@@H]1CCc1cccc(c1)C(F)(F)F)C1CC1)c1ccccc1 |r| Show InChI InChI=1S/C27H28ClF3N4O/c1-32-26(36)22(18-7-3-2-4-8-18)34-14-15-35-23(24(28)33-25(35)19-11-12-19)21(34)13-10-17-6-5-9-20(16-17)27(29,30)31/h2-9,16,19,21-22H,10-15H2,1H3,(H,32,36)/t21-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50292929
(CHEMBL455136 | almorexant)Show SMILES CNC(=O)[C@H](N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(cc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)/t24-,27+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50436383
(CHEMBL2396835)Show SMILES CCc1nc(Cl)c2[C@H](CCc3cc(F)c(c(F)c3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H26ClF5N4O/c1-3-20-34-24(27)23-19(10-9-15-13-17(28)21(18(29)14-15)26(30,31)32)35(11-12-36(20)23)22(25(37)33-2)16-7-5-4-6-8-16/h4-8,13-14,19,22H,3,9-12H2,1-2H3,(H,33,37)/t19-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50436380
(CHEMBL2396838)Show SMILES CCc1nc(Cl)c2[C@H](CCc3cccc(c3F)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H27ClF4N4O/c1-3-20-33-24(27)23-19(13-12-16-10-7-11-18(21(16)28)26(29,30)31)34(14-15-35(20)23)22(25(36)32-2)17-8-5-4-6-9-17/h4-11,19,22H,3,12-15H2,1-2H3,(H,32,36)/t19-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50431845
(CHEMBL2347607)Show SMILES CNC(=O)[C@H](N1CCn2c(nc(Cl)c2[C@@H]1CCc1ccc(cc1)C(F)(F)F)C1CC1)c1ccccc1 |r| Show InChI InChI=1S/C27H28ClF3N4O/c1-32-26(36)22(18-5-3-2-4-6-18)34-15-16-35-23(24(28)33-25(35)19-10-11-19)21(34)14-9-17-7-12-20(13-8-17)27(29,30)31/h2-8,12-13,19,21-22H,9-11,14-16H2,1H3,(H,32,36)/t21-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50436394
(CHEMBL2396862)Show SMILES CCc1nc(Cl)c2[C@H](COc3ccc(cc3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C25H26ClF3N4O2/c1-3-20-31-23(26)22-19(15-35-18-11-9-17(10-12-18)25(27,28)29)32(13-14-33(20)22)21(24(34)30-2)16-7-5-4-6-8-16/h4-12,19,21H,3,13-15H2,1-2H3,(H,30,34)/t19-,21+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50431860
(CHEMBL2347482)Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(cc3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H28ClF3N4O/c1-3-21-32-24(27)23-20(14-11-17-9-12-19(13-10-17)26(28,29)30)33(15-16-34(21)23)22(25(35)31-2)18-7-5-4-6-8-18/h4-10,12-13,20,22H,3,11,14-16H2,1-2H3,(H,31,35)/t20-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50436395
(CHEMBL2396861)Show SMILES CCc1nc(Cl)c2[C@H](CCc3cccc(c3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H28ClF3N4O/c1-3-21-32-24(27)23-20(13-12-17-8-7-11-19(16-17)26(28,29)30)33(14-15-34(21)23)22(25(35)31-2)18-9-5-4-6-10-18/h4-11,16,20,22H,3,12-15H2,1-2H3,(H,31,35)/t20-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50436378
(CHEMBL2396840)Show SMILES CNC(=O)[C@H](N1CCn2c(nc(Cl)c2[C@@H]1CCc1ccc(c(F)c1)C(F)(F)F)C1CC1)c1ccccc1 |r| Show InChI InChI=1S/C27H27ClF4N4O/c1-33-26(37)22(17-5-3-2-4-6-17)35-13-14-36-23(24(28)34-25(36)18-9-10-18)21(35)12-8-16-7-11-19(20(29)15-16)27(30,31)32/h2-7,11,15,18,21-22H,8-10,12-14H2,1H3,(H,33,37)/t21-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50436386
(CHEMBL2396870)Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(cc3F)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H27ClF4N4O/c1-3-21-33-24(27)23-20(12-10-16-9-11-18(15-19(16)28)26(29,30)31)34(13-14-35(21)23)22(25(36)32-2)17-7-5-4-6-8-17/h4-9,11,15,20,22H,3,10,12-14H2,1-2H3,(H,32,36)/t20-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50292929
(CHEMBL455136 | almorexant)Show SMILES CNC(=O)[C@H](N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(cc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)/t24-,27+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50436385
(CHEMBL2396833)Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(c(F)c3F)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H26ClF5N4O/c1-3-19-34-24(27)23-18(12-10-15-9-11-17(26(30,31)32)21(29)20(15)28)35(13-14-36(19)23)22(25(37)33-2)16-7-5-4-6-8-16/h4-9,11,18,22H,3,10,12-14H2,1-2H3,(H,33,37)/t18-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50436392
(CHEMBL2396864)Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(cc3)C#N)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H28ClN5O/c1-3-22-30-25(27)24-21(14-13-18-9-11-19(17-28)12-10-18)31(15-16-32(22)24)23(26(33)29-2)20-7-5-4-6-8-20/h4-12,21,23H,3,13-16H2,1-2H3,(H,29,33)/t21-,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50436381
(CHEMBL2396837)Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(F)c(c3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H27ClF4N4O/c1-3-21-33-24(27)23-20(12-10-16-9-11-19(28)18(15-16)26(29,30)31)34(13-14-35(21)23)22(25(36)32-2)17-7-5-4-6-8-17/h4-9,11,15,20,22H,3,10,12-14H2,1-2H3,(H,32,36)/t20-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50436383
(CHEMBL2396835)Show SMILES CCc1nc(Cl)c2[C@H](CCc3cc(F)c(c(F)c3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H26ClF5N4O/c1-3-20-34-24(27)23-19(10-9-15-13-17(28)21(18(29)14-15)26(30,31)32)35(11-12-36(20)23)22(25(37)33-2)16-7-5-4-6-8-16/h4-8,13-14,19,22H,3,9-12H2,1-2H3,(H,33,37)/t19-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50436380
(CHEMBL2396838)Show SMILES CCc1nc(Cl)c2[C@H](CCc3cccc(c3F)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H27ClF4N4O/c1-3-20-33-24(27)23-19(13-12-16-10-7-11-18(21(16)28)26(29,30)31)34(14-15-35(20)23)22(25(36)32-2)17-8-5-4-6-9-17/h4-11,19,22H,3,12-15H2,1-2H3,(H,32,36)/t19-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50436384
(CHEMBL2396834)Show SMILES CCc1nc(Cl)c2[C@H](CCc3cc(F)c(cc3F)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H26ClF5N4O/c1-3-21-34-24(27)23-20(10-9-16-13-19(29)17(14-18(16)28)26(30,31)32)35(11-12-36(21)23)22(25(37)33-2)15-7-5-4-6-8-15/h4-8,13-14,20,22H,3,9-12H2,1-2H3,(H,33,37)/t20-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50436385
(CHEMBL2396833)Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(c(F)c3F)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H26ClF5N4O/c1-3-19-34-24(27)23-18(12-10-15-9-11-17(26(30,31)32)21(29)20(15)28)35(13-14-36(19)23)22(25(37)33-2)16-7-5-4-6-8-16/h4-9,11,18,22H,3,10,12-14H2,1-2H3,(H,33,37)/t18-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50436387
(CHEMBL2396869)Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(c(Cl)c3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H27Cl2F3N4O/c1-3-21-33-24(28)23-20(12-10-16-9-11-18(19(27)15-16)26(29,30)31)34(13-14-35(21)23)22(25(36)32-2)17-7-5-4-6-8-17/h4-9,11,15,20,22H,3,10,12-14H2,1-2H3,(H,32,36)/t20-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50436389
(CHEMBL2396867)Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(c(F)c3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H27ClF4N4O/c1-3-21-33-24(27)23-20(12-10-16-9-11-18(19(28)15-16)26(29,30)31)34(13-14-35(21)23)22(25(36)32-2)17-7-5-4-6-8-17/h4-9,11,15,20,22H,3,10,12-14H2,1-2H3,(H,32,36)/t20-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50436390
(CHEMBL2396866)Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(OC(F)(F)F)cc3)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H28ClF3N4O2/c1-3-21-32-24(27)23-20(14-11-17-9-12-19(13-10-17)36-26(28,29)30)33(15-16-34(21)23)22(25(35)31-2)18-7-5-4-6-8-18/h4-10,12-13,20,22H,3,11,14-16H2,1-2H3,(H,31,35)/t20-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50436387
(CHEMBL2396869)Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(c(Cl)c3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H27Cl2F3N4O/c1-3-21-33-24(28)23-20(12-10-16-9-11-18(19(27)15-16)26(29,30)31)34(13-14-35(21)23)22(25(36)32-2)17-7-5-4-6-8-17/h4-9,11,15,20,22H,3,10,12-14H2,1-2H3,(H,32,36)/t20-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50436377
(CHEMBL2396841)Show SMILES CNC(=O)[C@H](N1CCn2c(nc(Cl)c2[C@@H]1CCc1ccc(cc1F)C(F)(F)F)C1CC1)c1ccccc1 |r| Show InChI InChI=1S/C27H27ClF4N4O/c1-33-26(37)22(17-5-3-2-4-6-17)35-13-14-36-23(24(28)34-25(36)18-7-8-18)21(35)12-10-16-9-11-19(15-20(16)29)27(30,31)32/h2-6,9,11,15,18,21-22H,7-8,10,12-14H2,1H3,(H,33,37)/t21-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50431845
(CHEMBL2347607)Show SMILES CNC(=O)[C@H](N1CCn2c(nc(Cl)c2[C@@H]1CCc1ccc(cc1)C(F)(F)F)C1CC1)c1ccccc1 |r| Show InChI InChI=1S/C27H28ClF3N4O/c1-32-26(36)22(18-5-3-2-4-6-18)34-15-16-35-23(24(28)33-25(35)19-10-11-19)21(34)14-9-17-7-12-20(13-8-17)27(29,30)31/h2-8,12-13,19,21-22H,9-11,14-16H2,1H3,(H,32,36)/t21-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50436382
(CHEMBL2396836)Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(F)c(F)c3F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C25H26ClF3N4O/c1-3-19-31-24(26)23-18(12-10-15-9-11-17(27)21(29)20(15)28)32(13-14-33(19)23)22(25(34)30-2)16-7-5-4-6-8-16/h4-9,11,18,22H,3,10,12-14H2,1-2H3,(H,30,34)/t18-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50436384
(CHEMBL2396834)Show SMILES CCc1nc(Cl)c2[C@H](CCc3cc(F)c(cc3F)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H26ClF5N4O/c1-3-21-34-24(27)23-20(10-9-16-13-19(29)17(14-18(16)28)26(30,31)32)35(11-12-36(21)23)22(25(37)33-2)15-7-5-4-6-8-15/h4-8,13-14,20,22H,3,9-12H2,1-2H3,(H,33,37)/t20-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50431860
(CHEMBL2347482)Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(cc3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H28ClF3N4O/c1-3-21-32-24(27)23-20(14-11-17-9-12-19(13-10-17)26(28,29)30)33(15-16-34(21)23)22(25(35)31-2)18-7-5-4-6-8-18/h4-10,12-13,20,22H,3,11,14-16H2,1-2H3,(H,31,35)/t20-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50436386
(CHEMBL2396870)Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(cc3F)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H27ClF4N4O/c1-3-21-33-24(27)23-20(12-10-16-9-11-18(15-19(16)28)26(29,30)31)34(13-14-35(21)23)22(25(36)32-2)17-7-5-4-6-8-17/h4-9,11,15,20,22H,3,10,12-14H2,1-2H3,(H,32,36)/t20-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50436378
(CHEMBL2396840)Show SMILES CNC(=O)[C@H](N1CCn2c(nc(Cl)c2[C@@H]1CCc1ccc(c(F)c1)C(F)(F)F)C1CC1)c1ccccc1 |r| Show InChI InChI=1S/C27H27ClF4N4O/c1-33-26(37)22(17-5-3-2-4-6-17)35-13-14-36-23(24(28)34-25(36)18-9-10-18)21(35)12-8-16-7-11-19(20(29)15-16)27(30,31)32/h2-7,11,15,18,21-22H,8-10,12-14H2,1H3,(H,33,37)/t21-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50436395
(CHEMBL2396861)Show SMILES CCc1nc(Cl)c2[C@H](CCc3cccc(c3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H28ClF3N4O/c1-3-21-32-24(27)23-20(13-12-17-8-7-11-19(16-17)26(28,29)30)33(14-15-34(21)23)22(25(35)31-2)18-9-5-4-6-10-18/h4-11,16,20,22H,3,12-15H2,1-2H3,(H,31,35)/t20-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50436391
(CHEMBL2396865)Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(OC(F)F)cc3)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H29ClF2N4O2/c1-3-21-31-24(27)23-20(14-11-17-9-12-19(13-10-17)35-26(28)29)32(15-16-33(21)23)22(25(34)30-2)18-7-5-4-6-8-18/h4-10,12-13,20,22,26H,3,11,14-16H2,1-2H3,(H,30,34)/t20-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50436379
(CHEMBL2396839)Show SMILES CNC(=O)[C@H](N1CCn2c(nc(Cl)c2[C@@H]1CCc1cccc(c1)C(F)(F)F)C1CC1)c1ccccc1 |r| Show InChI InChI=1S/C27H28ClF3N4O/c1-32-26(36)22(18-7-3-2-4-8-18)34-14-15-35-23(24(28)33-25(35)19-11-12-19)21(34)13-10-17-6-5-9-20(16-17)27(29,30)31/h2-9,16,19,21-22H,10-15H2,1H3,(H,32,36)/t21-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50436377
(CHEMBL2396841)Show SMILES CNC(=O)[C@H](N1CCn2c(nc(Cl)c2[C@@H]1CCc1ccc(cc1F)C(F)(F)F)C1CC1)c1ccccc1 |r| Show InChI InChI=1S/C27H27ClF4N4O/c1-33-26(37)22(17-5-3-2-4-6-17)35-13-14-36-23(24(28)34-25(36)18-7-8-18)21(35)12-10-16-9-11-19(15-20(16)29)27(30,31)32/h2-6,9,11,15,18,21-22H,7-8,10,12-14H2,1H3,(H,33,37)/t21-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50436376
(CHEMBL2396842)Show SMILES CNC(=O)[C@H](N1CCn2c(nc(Cl)c2[C@@H]1CCc1ccc(OC(F)F)c(F)c1)C1CC1)c1ccccc1 |r| Show InChI InChI=1S/C27H28ClF3N4O2/c1-32-26(36)22(17-5-3-2-4-6-17)34-13-14-35-23(24(28)33-25(35)18-9-10-18)20(34)11-7-16-8-12-21(19(29)15-16)37-27(30)31/h2-6,8,12,15,18,20,22,27H,7,9-11,13-14H2,1H3,(H,32,36)/t20-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50436390
(CHEMBL2396866)Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(OC(F)(F)F)cc3)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H28ClF3N4O2/c1-3-21-32-24(27)23-20(14-11-17-9-12-19(13-10-17)36-26(28,29)30)33(15-16-34(21)23)22(25(35)31-2)18-7-5-4-6-8-18/h4-10,12-13,20,22H,3,11,14-16H2,1-2H3,(H,31,35)/t20-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 203 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50436388
(CHEMBL2396868)Show SMILES CCc1nc(Cl)c2[C@@H](CCc3ccc(c(F)c3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H27ClF4N4O/c1-3-21-33-24(27)23-20(12-10-16-9-11-18(19(28)15-16)26(29,30)31)34(13-14-35(21)23)22(25(36)32-2)17-7-5-4-6-8-17/h4-9,11,15,20,22H,3,10,12-14H2,1-2H3,(H,32,36)/t20-,22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 227 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50436393
(CHEMBL2396863)Show SMILES CCc1nc(Cl)c2[C@H](COc3cccc(c3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C25H26ClF3N4O2/c1-3-20-31-23(26)22-19(15-35-18-11-7-10-17(14-18)25(27,28)29)32(12-13-33(20)22)21(24(34)30-2)16-8-5-4-6-9-16/h4-11,14,19,21H,3,12-13,15H2,1-2H3,(H,30,34)/t19-,21+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 312 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50436381
(CHEMBL2396837)Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(F)c(c3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H27ClF4N4O/c1-3-21-33-24(27)23-20(12-10-16-9-11-19(28)18(15-16)26(29,30)31)34(13-14-35(21)23)22(25(36)32-2)17-7-5-4-6-8-17/h4-9,11,15,20,22H,3,10,12-14H2,1-2H3,(H,32,36)/t20-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 378 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50436394
(CHEMBL2396862)Show SMILES CCc1nc(Cl)c2[C@H](COc3ccc(cc3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C25H26ClF3N4O2/c1-3-20-31-23(26)22-19(15-35-18-11-9-17(10-12-18)25(27,28)29)32(13-14-33(20)22)21(24(34)30-2)16-7-5-4-6-8-16/h4-12,19,21H,3,13-15H2,1-2H3,(H,30,34)/t19-,21+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 431 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50436388
(CHEMBL2396868)Show SMILES CCc1nc(Cl)c2[C@@H](CCc3ccc(c(F)c3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H27ClF4N4O/c1-3-21-33-24(27)23-20(12-10-16-9-11-18(19(28)15-16)26(29,30)31)34(13-14-35(21)23)22(25(36)32-2)17-7-5-4-6-8-17/h4-9,11,15,20,22H,3,10,12-14H2,1-2H3,(H,32,36)/t20-,22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 547 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50436392
(CHEMBL2396864)Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(cc3)C#N)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H28ClN5O/c1-3-22-30-25(27)24-21(14-13-18-9-11-19(17-28)12-10-18)31(15-16-32(22)24)23(26(33)29-2)20-7-5-4-6-8-20/h4-12,21,23H,3,13-16H2,1-2H3,(H,29,33)/t21-,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 3857-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71 |
More data for this
Ligand-Target Pair | |
Search and Browse
