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BDBM50417364 CHEMBL1276859

SMILES: OC(=O)CC1CCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21

InChI Key: InChIKey=BEAHZBHBRZMAIL-OSHJFMDRSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50417364   
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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50417364
PNG
(CHEMBL1276859)
Show SMILES OC(=O)CC1CCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r|
Show InChI InChI=1S/C25H29NO2/c27-24(28)13-18-10-12-26(17-18)22-9-11-25(16-22)15-21-7-2-1-5-19(21)14-20-6-3-4-8-23(20)25/h1-8,18,22H,9-17H2,(H,27,28)/t18?,22?,25-/m0/s1
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Similars

Article
PubMed
31.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay


J Med Chem 53: 7778-95 (2010)


Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
More data for this
Ligand-Target Pair