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BDBM50029052 CHEMBL3343248

SMILES: COc1ccc(cc1OC)[C@]1(COc2ccccc2)C[C@H]1C(=O)Nc1ccccn1

InChI Key: InChIKey=QVPVVEXTVJPQSR-YADARESESA-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 = 50029052   
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))
BDBM50029052
PNG
(CHEMBL3343248)
Show SMILES COc1ccc(cc1OC)[C@]1(COc2ccccc2)C[C@H]1C(=O)Nc1ccccn1
Show InChI InChI=1S/C24H24N2O4/c1-28-20-12-11-17(14-21(20)29-2)24(16-30-18-8-4-3-5-9-18)15-19(24)23(27)26-22-10-6-7-13-25-22/h3-14,19H,15-16H2,1-2H3,(H,25,26,27)/t19-,24+/m0/s1
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Similars

Article
PubMed
129n/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))
BDBM50029052
PNG
(CHEMBL3343248)
Show SMILES COc1ccc(cc1OC)[C@]1(COc2ccccc2)C[C@H]1C(=O)Nc1ccccn1
Show InChI InChI=1S/C24H24N2O4/c1-28-20-12-11-17(14-21(20)29-2)24(16-30-18-8-4-3-5-9-18)15-19(24)23(27)26-22-10-6-7-13-25-22/h3-14,19H,15-16H2,1-2H3,(H,25,26,27)/t19-,24+/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