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BDBM50029054 CHEMBL3343249

SMILES: COc1cccc(OC[C@]2(C[C@H]2C(=O)Nc2ccccn2)c2ccccc2)c1

InChI Key: InChIKey=OJGIYWMKIUEWTC-NZQKXSOJSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50029054   
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))
BDBM50029054
PNG
(CHEMBL3343249)
Show SMILES COc1cccc(OC[C@]2(C[C@H]2C(=O)Nc2ccccn2)c2ccccc2)c1
Show InChI InChI=1S/C23H22N2O3/c1-27-18-10-7-11-19(14-18)28-16-23(17-8-3-2-4-9-17)15-20(23)22(26)25-21-12-5-6-13-24-21/h2-14,20H,15-16H2,1H3,(H,24,25,26)/t20-,23+/m0/s1
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Similars

Article
PubMed
1.33E+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
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50029054
PNG
(CHEMBL3343249)
Show SMILES COc1cccc(OC[C@]2(C[C@H]2C(=O)Nc2ccccn2)c2ccccc2)c1
Show InChI InChI=1S/C23H22N2O3/c1-27-18-10-7-11-19(14-18)28-16-23(17-8-3-2-4-9-17)15-20(23)22(26)25-21-12-5-6-13-24-21/h2-14,20H,15-16H2,1H3,(H,24,25,26)/t20-,23+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+4n/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