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BDBM50343584 (Z)-11-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperazin-1-yl)propylidene)-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylic acid::CHEMBL1774503

SMILES: Cn1c(cc(=O)n(C)c1=O)N1CCN(CC\C=C2\c3ccccc3COc3ccc(cc23)C(O)=O)CC1

InChI Key: InChIKey=XCIDTTYEFDTNFF-UYOCIXKTSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50343584   
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))
BDBM50343584
PNG
((Z)-11-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetra...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCN(CC\C=C2\c3ccccc3COc3ccc(cc23)C(O)=O)CC1
Show InChI InChI=1S/C28H30N4O5/c1-29-25(17-26(33)30(2)28(29)36)32-14-12-31(13-15-32)11-5-8-22-21-7-4-3-6-20(21)18-37-24-10-9-19(27(34)35)16-23(22)24/h3-4,6-10,16-17H,5,11-15,18H2,1-2H3,(H,34,35)/b22-8-
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 325n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair