Found 40 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50321509
((5-chloro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1R,5R)...)Show SMILES Fc1ccc2nc(ncc2c1)N1C[C@H]2C[C@@H]1CN(C2)C(=O)c1cc(Cl)ccc1-n1nccn1 |r| Show InChI InChI=1S/C23H19ClFN7O/c24-16-1-4-21(32-27-5-6-28-32)19(9-16)22(33)30-11-14-7-18(13-30)31(12-14)23-26-10-15-8-17(25)2-3-20(15)29-23/h1-6,8-10,14,18H,7,11-13H2/t14-,18+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX1R |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50321510
((3-(7-fluoroquinazolin-2-yl)-3,9-di azabicyclo[4.2...)Show SMILES Cc1ccc(c(c1)C(=O)N1C2CCC1CN(CC2)c1ncc2ccc(F)cc2n1)-n1nccn1 Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)32-19-5-6-20(32)15-31(11-8-19)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX2R |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50321510
((3-(7-fluoroquinazolin-2-yl)-3,9-di azabicyclo[4.2...)Show SMILES Cc1ccc(c(c1)C(=O)N1C2CCC1CN(CC2)c1ncc2ccc(F)cc2n1)-n1nccn1 Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)32-19-5-6-20(32)15-31(11-8-19)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX1R |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50321516
(((1R,5R)-2-(7-fluoroquinazolin-2-yl)-2,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@H]2CC[C@@H]1CCN2c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:7:9:17.15.16:13.12| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)32-15-20-6-5-19(32)8-11-31(20)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3/t19-,20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX1R |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50258741
((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...)Show SMILES Cc1ccc(c(c1)C(=O)N1CCCN(CC1)c1ncc2ccccc2n1)-n1nccn1 Show InChI InChI=1S/C23H23N7O/c1-17-7-8-21(30-25-9-10-26-30)19(15-17)22(31)28-11-4-12-29(14-13-28)23-24-16-18-5-2-3-6-20(18)27-23/h2-3,5-10,15-16H,4,11-14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX2R |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50321509
((5-chloro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1R,5R)...)Show SMILES Fc1ccc2nc(ncc2c1)N1C[C@H]2C[C@@H]1CN(C2)C(=O)c1cc(Cl)ccc1-n1nccn1 |r| Show InChI InChI=1S/C23H19ClFN7O/c24-16-1-4-21(32-27-5-6-28-32)19(9-16)22(33)30-11-14-7-18(13-30)31(12-14)23-26-10-15-8-17(25)2-3-20(15)29-23/h1-6,8-10,14,18H,7,11-13H2/t14-,18+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX2R |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50321511
((+/-)-(9-(7-fluoroquinazolin-2-yl)-3,9-diazabicycl...)Show SMILES Cc1ccc(c(c1)C(=O)N1CCC2CCC(C1)N2c1ncc2ccc(F)cc2n1)-n1nccn1 Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)31-11-8-19-5-6-20(15-31)32(19)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX2R |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50321511
((+/-)-(9-(7-fluoroquinazolin-2-yl)-3,9-diazabicycl...)Show SMILES Cc1ccc(c(c1)C(=O)N1CCC2CCC(C1)N2c1ncc2ccc(F)cc2n1)-n1nccn1 Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)31-11-8-19-5-6-20(15-31)32(19)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX1R |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50258741
((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...)Show SMILES Cc1ccc(c(c1)C(=O)N1CCCN(CC1)c1ncc2ccccc2n1)-n1nccn1 Show InChI InChI=1S/C23H23N7O/c1-17-7-8-21(30-25-9-10-26-30)19(15-17)22(31)28-11-4-12-29(14-13-28)23-24-16-18-5-2-3-6-20(18)27-23/h2-3,5-10,15-16H,4,11-14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX1R |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50321513
(((1S,5R)-3-(7-fluoroquinazolin-2-yl)-3,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@@H]2CC[C@H]1CN(C2)c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:7:9:15.16.17:13.12| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-8-9-29-33)21(10-16)24(34)32-14-17-3-6-20(32)15-31(13-17)25-27-12-18-4-5-19(26)11-22(18)30-25/h2,4-5,7-12,17,20H,3,6,13-15H2,1H3/t17-,20+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX1R |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50321516
(((1R,5R)-2-(7-fluoroquinazolin-2-yl)-2,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@H]2CC[C@@H]1CCN2c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:7:9:17.15.16:13.12| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)32-15-20-6-5-19(32)8-11-31(20)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3/t19-,20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX2R |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50321512
(((1R,5S)-3-(7-fluoroquinazolin-2-yl)-3,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@H]2CC[C@@H]1CN(C2)c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:7:9:15.16.17:13.12| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-8-9-29-33)21(10-16)24(34)32-14-17-3-6-20(32)15-31(13-17)25-27-12-18-4-5-19(26)11-22(18)30-25/h2,4-5,7-12,17,20H,3,6,13-15H2,1H3/t17-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX2R |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50321510
((3-(7-fluoroquinazolin-2-yl)-3,9-di azabicyclo[4.2...)Show SMILES Cc1ccc(c(c1)C(=O)N1C2CCC1CN(CC2)c1ncc2ccc(F)cc2n1)-n1nccn1 Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)32-19-5-6-20(32)15-31(11-8-19)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX1R |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50321510
((3-(7-fluoroquinazolin-2-yl)-3,9-di azabicyclo[4.2...)Show SMILES Cc1ccc(c(c1)C(=O)N1C2CCC1CN(CC2)c1ncc2ccc(F)cc2n1)-n1nccn1 Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)32-19-5-6-20(32)15-31(11-8-19)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX2R |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50321517
(((1S,5S)-2-(7-fluoroquinazolin-2-yl)-2,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@@H]2CC[C@H]1CCN2c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:7:9:17.15.16:13.12| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)32-15-20-6-5-19(32)8-11-31(20)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3/t19-,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX1R |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50321512
(((1R,5S)-3-(7-fluoroquinazolin-2-yl)-3,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@H]2CC[C@@H]1CN(C2)c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:7:9:15.16.17:13.12| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-8-9-29-33)21(10-16)24(34)32-14-17-3-6-20(32)15-31(13-17)25-27-12-18-4-5-19(26)11-22(18)30-25/h2,4-5,7-12,17,20H,3,6,13-15H2,1H3/t17-,20+/m0/s1 | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX1R |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50321517
(((1S,5S)-2-(7-fluoroquinazolin-2-yl)-2,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@@H]2CC[C@H]1CCN2c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:7:9:17.15.16:13.12| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)32-15-20-6-5-19(32)8-11-31(20)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3/t19-,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX2R |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50321513
(((1S,5R)-3-(7-fluoroquinazolin-2-yl)-3,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@@H]2CC[C@H]1CN(C2)c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:7:9:15.16.17:13.12| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-8-9-29-33)21(10-16)24(34)32-14-17-3-6-20(32)15-31(13-17)25-27-12-18-4-5-19(26)11-22(18)30-25/h2,4-5,7-12,17,20H,3,6,13-15H2,1H3/t17-,20+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX2R |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50321514
(((1S,5S)-6-(7-fluoroquinazolin-2-yl)-2,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1CC[C@@H]2CC[C@H]1CN2c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:18:17:9.10.11:14.13| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)31-11-8-19-5-6-20(31)15-32(19)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3/t19-,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX2R |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50321514
(((1S,5S)-6-(7-fluoroquinazolin-2-yl)-2,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1CC[C@@H]2CC[C@H]1CN2c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:18:17:9.10.11:14.13| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)31-11-8-19-5-6-20(31)15-32(19)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3/t19-,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX1R |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50321515
(((1R,5R)-6-(7-fluoroquinazolin-2-yl)-2,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1CC[C@H]2CC[C@@H]1CN2c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:18:17:9.10.11:14.13| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)31-11-8-19-5-6-20(31)15-32(19)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3/t19-,20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 345 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX1R |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50321515
(((1R,5R)-6-(7-fluoroquinazolin-2-yl)-2,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1CC[C@H]2CC[C@@H]1CN2c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:18:17:9.10.11:14.13| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)31-11-8-19-5-6-20(31)15-32(19)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3/t19-,20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX2R |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50321513
(((1S,5R)-3-(7-fluoroquinazolin-2-yl)-3,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@@H]2CC[C@H]1CN(C2)c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:7:9:15.16.17:13.12| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-8-9-29-33)21(10-16)24(34)32-14-17-3-6-20(32)15-31(13-17)25-27-12-18-4-5-19(26)11-22(18)30-25/h2,4-5,7-12,17,20H,3,6,13-15H2,1H3/t17-,20+/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 | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX1R by FLIPR assay |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50321511
((+/-)-(9-(7-fluoroquinazolin-2-yl)-3,9-diazabicycl...)Show SMILES Cc1ccc(c(c1)C(=O)N1CCC2CCC(C1)N2c1ncc2ccc(F)cc2n1)-n1nccn1 Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)31-11-8-19-5-6-20(15-31)32(19)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3 | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX1R by FLIPR assay |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50321510
((3-(7-fluoroquinazolin-2-yl)-3,9-di azabicyclo[4.2...)Show SMILES Cc1ccc(c(c1)C(=O)N1C2CCC1CN(CC2)c1ncc2ccc(F)cc2n1)-n1nccn1 Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)32-19-5-6-20(32)15-31(11-8-19)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX1R by FLIPR assay |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50321510
((3-(7-fluoroquinazolin-2-yl)-3,9-di azabicyclo[4.2...)Show SMILES Cc1ccc(c(c1)C(=O)N1C2CCC1CN(CC2)c1ncc2ccc(F)cc2n1)-n1nccn1 Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)32-19-5-6-20(32)15-31(11-8-19)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX1R by FLIPR assay |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50321512
(((1R,5S)-3-(7-fluoroquinazolin-2-yl)-3,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@H]2CC[C@@H]1CN(C2)c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:7:9:15.16.17:13.12| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-8-9-29-33)21(10-16)24(34)32-14-17-3-6-20(32)15-31(13-17)25-27-12-18-4-5-19(26)11-22(18)30-25/h2,4-5,7-12,17,20H,3,6,13-15H2,1H3/t17-,20+/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 | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX1R by FLIPR assay |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50321516
(((1R,5R)-2-(7-fluoroquinazolin-2-yl)-2,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@H]2CC[C@@H]1CCN2c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:7:9:17.15.16:13.12| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)32-15-20-6-5-19(32)8-11-31(20)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3/t19-,20-/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 | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX1R by FLIPR assay |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50321510
((3-(7-fluoroquinazolin-2-yl)-3,9-di azabicyclo[4.2...)Show SMILES Cc1ccc(c(c1)C(=O)N1C2CCC1CN(CC2)c1ncc2ccc(F)cc2n1)-n1nccn1 Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)32-19-5-6-20(32)15-31(11-8-19)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 136 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX2R by FLIPR assay |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50321516
(((1R,5R)-2-(7-fluoroquinazolin-2-yl)-2,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@H]2CC[C@@H]1CCN2c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:7:9:17.15.16:13.12| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)32-15-20-6-5-19(32)8-11-31(20)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3/t19-,20-/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 | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX2R by FLIPR assay |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50321510
((3-(7-fluoroquinazolin-2-yl)-3,9-di azabicyclo[4.2...)Show SMILES Cc1ccc(c(c1)C(=O)N1C2CCC1CN(CC2)c1ncc2ccc(F)cc2n1)-n1nccn1 Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)32-19-5-6-20(32)15-31(11-8-19)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX2R by FLIPR assay |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50321511
((+/-)-(9-(7-fluoroquinazolin-2-yl)-3,9-diazabicycl...)Show SMILES Cc1ccc(c(c1)C(=O)N1CCC2CCC(C1)N2c1ncc2ccc(F)cc2n1)-n1nccn1 Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)31-11-8-19-5-6-20(15-31)32(19)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX2R by FLIPR assay |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50321512
(((1R,5S)-3-(7-fluoroquinazolin-2-yl)-3,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@H]2CC[C@@H]1CN(C2)c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:7:9:15.16.17:13.12| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-8-9-29-33)21(10-16)24(34)32-14-17-3-6-20(32)15-31(13-17)25-27-12-18-4-5-19(26)11-22(18)30-25/h2,4-5,7-12,17,20H,3,6,13-15H2,1H3/t17-,20+/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 | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX2R by FLIPR assay |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50321517
(((1S,5S)-2-(7-fluoroquinazolin-2-yl)-2,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@@H]2CC[C@H]1CCN2c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:7:9:17.15.16:13.12| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)32-15-20-6-5-19(32)8-11-31(20)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3/t19-,20-/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 | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX2R by FLIPR assay |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50321513
(((1S,5R)-3-(7-fluoroquinazolin-2-yl)-3,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@@H]2CC[C@H]1CN(C2)c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:7:9:15.16.17:13.12| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-8-9-29-33)21(10-16)24(34)32-14-17-3-6-20(32)15-31(13-17)25-27-12-18-4-5-19(26)11-22(18)30-25/h2,4-5,7-12,17,20H,3,6,13-15H2,1H3/t17-,20+/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 | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX2R by FLIPR assay |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50321517
(((1S,5S)-2-(7-fluoroquinazolin-2-yl)-2,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@@H]2CC[C@H]1CCN2c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:7:9:17.15.16:13.12| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)32-15-20-6-5-19(32)8-11-31(20)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3/t19-,20-/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 | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX1R by FLIPR assay |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50321514
(((1S,5S)-6-(7-fluoroquinazolin-2-yl)-2,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1CC[C@@H]2CC[C@H]1CN2c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:18:17:9.10.11:14.13| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)31-11-8-19-5-6-20(31)15-32(19)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3/t19-,20-/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 | 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX2R by FLIPR assay |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50321515
(((1R,5R)-6-(7-fluoroquinazolin-2-yl)-2,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1CC[C@H]2CC[C@@H]1CN2c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:18:17:9.10.11:14.13| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)31-11-8-19-5-6-20(31)15-32(19)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3/t19-,20-/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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX1R by FLIPR assay |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50321514
(((1S,5S)-6-(7-fluoroquinazolin-2-yl)-2,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1CC[C@@H]2CC[C@H]1CN2c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:18:17:9.10.11:14.13| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)31-11-8-19-5-6-20(31)15-32(19)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3/t19-,20-/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 | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX1R by FLIPR assay |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50321515
(((1R,5R)-6-(7-fluoroquinazolin-2-yl)-2,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1CC[C@H]2CC[C@@H]1CN2c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:18:17:9.10.11:14.13| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)31-11-8-19-5-6-20(31)15-32(19)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3/t19-,20-/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX2R by FLIPR assay |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047
BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this
Ligand-Target Pair | |
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