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BDBM257925 US9493446, 394

SMILES: Cc1cccc(-c2nc(no2)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2-n2nccn2)c1C

InChI Key: InChIKey=VIBREFRUWLQYNL-FQEVSTJZSA-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 = 257925   
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))
BDBM257925
PNG
(US9493446, 394)
Show SMILES Cc1cccc(-c2nc(no2)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2-n2nccn2)c1C
Show InChI InChI=1S/C23H21ClN6O2/c1-14-5-3-6-17(15(14)2)22-27-21(28-32-22)20-7-4-12-29(20)23(31)18-13-16(24)8-9-19(18)30-25-10-11-26-30/h3,5-6,8-11,13,20H,4,7,12H2,1-2H3/t20-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/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))
BDBM257925
PNG
(US9493446, 394)
Show SMILES Cc1cccc(-c2nc(no2)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2-n2nccn2)c1C
Show InChI InChI=1S/C23H21ClN6O2/c1-14-5-3-6-17(15(14)2)22-27-21(28-32-22)20-7-4-12-29(20)23(31)18-13-16(24)8-9-19(18)30-25-10-11-26-30/h3,5-6,8-11,13,20H,4,7,12H2,1-2H3/t20-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 134n/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