BindingDB logo
myBDB logout

BDBM257692 US9493446, 161

SMILES: Fc1cc(C(=O)N2CCC[C@H]2c2nc(no2)-c2ccccc2OC(F)(F)F)c(cc1F)-n1nccn1

InChI Key: InChIKey=ZHOGJEPPCJWXMP-INIZCTEOSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 257692   
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))
BDBM257692
PNG
(US9493446, 161)
Show SMILES Fc1cc(C(=O)N2CCC[C@H]2c2nc(no2)-c2ccccc2OC(F)(F)F)c(cc1F)-n1nccn1
Show InChI InChI=1S/C22H15F5N6O3/c23-14-10-13(17(11-15(14)24)33-28-7-8-29-33)21(34)32-9-3-5-16(32)20-30-19(31-36-20)12-4-1-2-6-18(12)35-22(25,26)27/h1-2,4,6-8,10-11,16H,3,5,9H2/t16-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 204n/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))
BDBM257692
PNG
(US9493446, 161)
Show SMILES Fc1cc(C(=O)N2CCC[C@H]2c2nc(no2)-c2ccccc2OC(F)(F)F)c(cc1F)-n1nccn1
Show InChI InChI=1S/C22H15F5N6O3/c23-14-10-13(17(11-15(14)24)33-28-7-8-29-33)21(34)32-9-3-5-16(32)20-30-19(31-36-20)12-4-1-2-6-18(12)35-22(25,26)27/h1-2,4,6-8,10-11,16H,3,5,9H2/t16-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 751n/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