BindingDB logo
myBDB logout

BDBM50418276 CHEMBL1767142

SMILES: CN1CCC[C@@H]1Cn1nc(Cc2ccc(cc2)C(C)(C)C)c2ccccc2c1=O

InChI Key: InChIKey=DXZJJDOMGLPHDI-HXUWFJFHSA-N

Data: 1 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 1 hit for monomerid = 50418276   
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))
BDBM50418276
PNG
(CHEMBL1767142)
Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(cc2)C(C)(C)C)c2ccccc2c1=O |r|
Show InChI InChI=1S/C25H31N3O/c1-25(2,3)19-13-11-18(12-14-19)16-23-21-9-5-6-10-22(21)24(29)28(26-23)17-20-8-7-15-27(20)4/h5-6,9-14,20H,7-8,15-17H2,1-4H3/t20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
398n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair