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BDBM50029043 CHEMBL3343241

SMILES: COc1ccc(OC[C@]2(C[C@H]2CNc2ccccc2)c2ccccc2)cc1OC

InChI Key: InChIKey=HYFMEZFPRQWKRG-QTZDTBTRNA-N

Data: 2 KI

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 = 50029043   
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 1


(Homo sapiens (Human))
BDBM50029043
PNG
(CHEMBL3343241)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2CNc2ccccc2)c2ccccc2)cc1OC
Show InChI InChI=1/C25H27NO3/c1-27-23-14-13-22(15-24(23)28-2)29-18-25(19-9-5-3-6-10-19)16-20(25)17-26-21-11-7-4-8-12-21/h3-15,20,26H,16-18H2,1-2H3/t20-,25+/s2
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PC cid
PC sid
UniChem

Similars

Article
PubMed
4.16E+3n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50029043
PNG
(CHEMBL3343241)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2CNc2ccccc2)c2ccccc2)cc1OC
Show InChI InChI=1/C25H27NO3/c1-27-23-14-13-22(15-24(23)28-2)29-18-25(19-9-5-3-6-10-19)16-20(25)17-26-21-11-7-4-8-12-21/h3-15,20,26H,16-18H2,1-2H3/t20-,25+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.23E+3n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair