BindingDB logo
myBDB logout

BDBM184139 US9150566, 177

SMILES: Cc1cccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-c2ncon2)c1-n1nccn1

InChI Key: InChIKey=OQWDRLJUBNCFEY-GOSISDBHSA-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 = 184139   
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))
BDBM184139
PNG
(US9150566, 177)
Show SMILES Cc1cccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-c2ncon2)c1-n1nccn1
Show InChI InChI=1S/C23H21FN6O3/c1-15-3-2-4-19(21(15)30-26-7-8-27-30)23(31)29-9-10-32-13-18(29)12-17-11-16(5-6-20(17)24)22-25-14-33-28-22/h2-8,11,14,18H,9-10,12-13H2,1H3/t18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 893n/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 US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM184139
PNG
(US9150566, 177)
Show SMILES Cc1cccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-c2ncon2)c1-n1nccn1
Show InChI InChI=1S/C23H21FN6O3/c1-15-3-2-4-19(21(15)30-26-7-8-27-30)23(31)29-9-10-32-13-18(29)12-17-11-16(5-6-20(17)24)22-25-14-33-28-22/h2-8,11,14,18H,9-10,12-13H2,1H3/t18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 25n/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 US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair