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BDBM240147 US9403813, 52

SMILES: Cc1nc(C(=O)N2CC[C@H]2c2nc(no2)-c2ccccc2OC(F)(F)F)c(o1)-c1cccc(C)c1

InChI Key: InChIKey=CAAAVKPMWFIZQW-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 = 240147   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Orexin receptor type 1


(Homo sapiens (Human))
BDBM240147
PNG
(US9403813, 52)
Show SMILES Cc1nc(C(=O)N2CC[C@H]2c2nc(no2)-c2ccccc2OC(F)(F)F)c(o1)-c1cccc(C)c1
Show InChI InChI=1S/C24H19F3N4O4/c1-13-6-5-7-15(12-13)20-19(28-14(2)33-20)23(32)31-11-10-17(31)22-29-21(30-35-22)16-8-3-4-9-18(16)34-24(25,26)27/h3-9,12,17H,10-11H2,1-2H3/t17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 357n/an/an/an/an/a37



Actelion Pharmaceuticals Ltd

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9403813 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RS2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM240147
PNG
(US9403813, 52)
Show SMILES Cc1nc(C(=O)N2CC[C@H]2c2nc(no2)-c2ccccc2OC(F)(F)F)c(o1)-c1cccc(C)c1
Show InChI InChI=1S/C24H19F3N4O4/c1-13-6-5-7-15(12-13)20-19(28-14(2)33-20)23(32)31-11-10-17(31)22-29-21(30-35-22)16-8-3-4-9-18(16)34-24(25,26)27/h3-9,12,17H,10-11H2,1-2H3/t17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 309n/an/an/an/an/a37



Actelion Pharmaceuticals Ltd

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9403813 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RS2
More data for this
Ligand-Target Pair