Found 3 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM386188' 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)) | BDBM386188
((2R,3S)-N-ethyl-2-(((cis-4-(3- fluorophenyl)cycloh...)Show SMILES CCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1cccc(F)c1 |r,wU:21.25,18.18,15.16,9.9,(-2.67,-4.23,;-1.33,-5,;,-4.23,;1.33,-5,;1.33,-6.54,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.93,;4,-.38,;5.33,.38,;6.67,-.38,;4.56,1.72,;6.1,1.72,;2.67,-2.69,;1.33,-1.93,;1.33,-.38,;,.38,;-1.33,-.38,;-2.67,.38,;-2.67,1.93,;-1.33,2.69,;,1.93,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-6.67,4.23,;-5.33,5,;-5.33,6.54,;-4,4.23,)| Show InChI InChI=1S/C22H34FN3O4S/c1-3-24-22(27)26-13-5-8-20(25-31(2,28)29)21(26)15-30-19-11-9-16(10-12-19)17-6-4-7-18(23)14-17/h4,6-7,14,16,19-21,25H,3,5,8-13,15H2,1-2H3,(H,24,27)/t16-,19+,20-,21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.0530 | n/a | n/a | n/a | n/a |
AstraZeneca
| Assay Description Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ... |
J Med Chem 50: 2213-24 (2007)
BindingDB Entry DOI: 10.7270/Q2Z321Z2 |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM386188
((2R,3S)-N-ethyl-2-(((cis-4-(3- fluorophenyl)cycloh...)Show SMILES CCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1cccc(F)c1 |r,wU:21.25,18.18,15.16,9.9,(-2.67,-4.23,;-1.33,-5,;,-4.23,;1.33,-5,;1.33,-6.54,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.93,;4,-.38,;5.33,.38,;6.67,-.38,;4.56,1.72,;6.1,1.72,;2.67,-2.69,;1.33,-1.93,;1.33,-.38,;,.38,;-1.33,-.38,;-2.67,.38,;-2.67,1.93,;-1.33,2.69,;,1.93,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-6.67,4.23,;-5.33,5,;-5.33,6.54,;-4,4.23,)| Show InChI InChI=1S/C22H34FN3O4S/c1-3-24-22(27)26-13-5-8-20(25-31(2,28)29)21(26)15-30-19-11-9-16(10-12-19)17-6-4-7-18(23)14-17/h4,6-7,14,16,19-21,25H,3,5,8-13,15H2,1-2H3,(H,24,27)/t16-,19+,20-,21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.0530 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CZ3BCW |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM386188
((2R,3S)-N-ethyl-2-(((cis-4-(3- fluorophenyl)cycloh...)Show SMILES CCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1cccc(F)c1 |r,wU:21.25,18.18,15.16,9.9,(-2.67,-4.23,;-1.33,-5,;,-4.23,;1.33,-5,;1.33,-6.54,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.93,;4,-.38,;5.33,.38,;6.67,-.38,;4.56,1.72,;6.1,1.72,;2.67,-2.69,;1.33,-1.93,;1.33,-.38,;,.38,;-1.33,-.38,;-2.67,.38,;-2.67,1.93,;-1.33,2.69,;,1.93,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-6.67,4.23,;-5.33,5,;-5.33,6.54,;-4,4.23,)| Show InChI InChI=1S/C22H34FN3O4S/c1-3-24-22(27)26-13-5-8-20(25-31(2,28)29)21(26)15-30-19-11-9-16(10-12-19)17-6-4-7-18(23)14-17/h4,6-7,14,16,19-21,25H,3,5,8-13,15H2,1-2H3,(H,24,27)/t16-,19+,20-,21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.0530 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
US Patent
| Assay Description Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ... |
US Patent US10508083 (2019)
BindingDB Entry DOI: 10.7270/Q29S1TD1 |
More data for this Ligand-Target Pair | |