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BDBM50419140 CHEMBL1830960

SMILES: Fc1ccc(OCC[C@@H]2CCCCN2C(=O)c2cccc3ccccc23)cc1

InChI Key: InChIKey=HZRQWFQNAXXWSG-FQEVSTJZSA-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 = 50419140   
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))
BDBM50419140
PNG
(CHEMBL1830960)
Show SMILES Fc1ccc(OCC[C@@H]2CCCCN2C(=O)c2cccc3ccccc23)cc1 |r|
Show InChI InChI=1S/C24H24FNO2/c25-19-11-13-21(14-12-19)28-17-15-20-8-3-4-16-26(20)24(27)23-10-5-7-18-6-1-2-9-22(18)23/h1-2,5-7,9-14,20H,3-4,8,15-17H2/t20-/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
6.31n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human OX1R expressed in CHO cells by FLIPR calcium based functional assay


Bioorg Med Chem Lett 21: 5562-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.086
BindingDB Entry DOI: 10.7270/Q29K4CGM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50419140
PNG
(CHEMBL1830960)
Show SMILES Fc1ccc(OCC[C@@H]2CCCCN2C(=O)c2cccc3ccccc23)cc1 |r|
Show InChI InChI=1S/C24H24FNO2/c25-19-11-13-21(14-12-19)28-17-15-20-8-3-4-16-26(20)24(27)23-10-5-7-18-6-1-2-9-22(18)23/h1-2,5-7,9-14,20H,3-4,8,15-17H2/t20-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
126n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human OX2R expressed in CHO cells by FLIPR calcium based functional assay


Bioorg Med Chem Lett 21: 5562-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.086
BindingDB Entry DOI: 10.7270/Q29K4CGM
More data for this
Ligand-Target Pair