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BDBM257726 US9493446, 195

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

InChI Key: InChIKey=PDSSKMTYJLVBBS-SFHVURJKSA-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 = 257726   
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))
BDBM257726
PNG
(US9493446, 195)
Show SMILES COc1c(F)cccc1-c1noc(n1)[C@@H]1CCCN1C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C23H21FN6O3/c1-14-8-9-15(19(13-14)30-25-10-11-26-30)23(31)29-12-4-7-18(29)22-27-21(28-33-22)16-5-3-6-17(24)20(16)32-2/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3/t18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/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))
BDBM257726
PNG
(US9493446, 195)
Show SMILES COc1c(F)cccc1-c1noc(n1)[C@@H]1CCCN1C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C23H21FN6O3/c1-14-8-9-15(19(13-14)30-25-10-11-26-30)23(31)29-12-4-7-18(29)22-27-21(28-33-22)16-5-3-6-17(24)20(16)32-2/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3/t18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 71n/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