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BDBM257736 US9493446, 205

SMILES: COc1c(F)cccc1-c1noc(n1)[C@@H]1CCCN1C(=O)c1ccc(cc1-n1nccn1)C(F)(F)F

InChI Key: InChIKey=FETULTQYTLUDQW-KRWDZBQOSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 257736   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Orexin receptor type 2


(Homo sapiens (Human))
BDBM257736
PNG
(US9493446, 205)
Show SMILES COc1c(F)cccc1-c1noc(n1)[C@@H]1CCCN1C(=O)c1ccc(cc1-n1nccn1)C(F)(F)F
Show InChI InChI=1S/C23H18F4N6O3/c1-35-19-15(4-2-5-16(19)24)20-30-21(36-31-20)17-6-3-11-32(17)22(34)14-8-7-13(23(25,26)27)12-18(14)33-28-9-10-29-33/h2,4-5,7-10,12,17H,3,6,11H2,1H3/t17-/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 43n/an/an/an/an/a37



Actelion Pharmaceuticals Ltd

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


US Patent US9493446 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TD0
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM257736
PNG
(US9493446, 205)
Show SMILES COc1c(F)cccc1-c1noc(n1)[C@@H]1CCCN1C(=O)c1ccc(cc1-n1nccn1)C(F)(F)F
Show InChI InChI=1S/C23H18F4N6O3/c1-35-19-15(4-2-5-16(19)24)20-30-21(36-31-20)17-6-3-11-32(17)22(34)14-8-7-13(23(25,26)27)12-18(14)33-28-9-10-29-33/h2,4-5,7-10,12,17H,3,6,11H2,1H3/t17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 340n/an/an/an/an/a37



Actelion Pharmaceuticals Ltd

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


US Patent US9493446 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TD0
More data for this
Ligand-Target Pair