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BDBM257707 US9493446, 176

SMILES: Cc1cc(F)cc(C(=O)N2CCC[C@H]2c2nc(no2)-c2ccccc2OC(F)(F)F)c1-n1nccn1

InChI Key: InChIKey=QWIHDXNUIKISCS-KRWDZBQOSA-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 = 257707   
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))
BDBM257707
PNG
(US9493446, 176)
Show SMILES Cc1cc(F)cc(C(=O)N2CCC[C@H]2c2nc(no2)-c2ccccc2OC(F)(F)F)c1-n1nccn1
Show InChI InChI=1S/C23H18F4N6O3/c1-13-11-14(24)12-16(19(13)33-28-8-9-29-33)22(34)32-10-4-6-17(32)21-30-20(31-36-21)15-5-2-3-7-18(15)35-23(25,26)27/h2-3,5,7-9,11-12,17H,4,6,10H2,1H3/t17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 151n/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))
BDBM257707
PNG
(US9493446, 176)
Show SMILES Cc1cc(F)cc(C(=O)N2CCC[C@H]2c2nc(no2)-c2ccccc2OC(F)(F)F)c1-n1nccn1
Show InChI InChI=1S/C23H18F4N6O3/c1-13-11-14(24)12-16(19(13)33-28-8-9-29-33)22(34)32-10-4-6-17(32)21-30-20(31-36-21)15-5-2-3-7-18(15)35-23(25,26)27/h2-3,5,7-9,11-12,17H,4,6,10H2,1H3/t17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 258n/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