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BDBM257871 US9493446, 340

SMILES: COc1c(F)cccc1-c1nc(no1)[C@@H]1CCCN1C(=O)c1cc(C)c(C)cc1-n1nccn1

InChI Key: InChIKey=BRUXZKWUDDEDNK-IBGZPJMESA-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 = 257871   
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))
BDBM257871
PNG
(US9493446, 340)
Show SMILES COc1c(F)cccc1-c1nc(no1)[C@@H]1CCCN1C(=O)c1cc(C)c(C)cc1-n1nccn1
Show InChI InChI=1S/C24H23FN6O3/c1-14-12-17(20(13-15(14)2)31-26-9-10-27-31)24(32)30-11-5-8-19(30)22-28-23(34-29-22)16-6-4-7-18(25)21(16)33-3/h4,6-7,9-10,12-13,19H,5,8,11H2,1-3H3/t19-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/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))
BDBM257871
PNG
(US9493446, 340)
Show SMILES COc1c(F)cccc1-c1nc(no1)[C@@H]1CCCN1C(=O)c1cc(C)c(C)cc1-n1nccn1
Show InChI InChI=1S/C24H23FN6O3/c1-14-12-17(20(13-15(14)2)31-26-9-10-27-31)24(32)30-11-5-8-19(30)22-28-23(34-29-22)16-6-4-7-18(25)21(16)33-3/h4,6-7,9-10,12-13,19H,5,8,11H2,1-3H3/t19-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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