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BDBM50343579 5-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperazin-1-yl)propyl)-5,11-dihydrodibenzo[b,e][1,4]oxazepine-7-carboxylicacid::CHEMBL1774490

SMILES: Cn1c(cc(=O)n(C)c1=O)N1CCN(CCCN2c3ccccc3COc3ccc(cc23)C(O)=O)CC1

InChI Key: InChIKey=FEHNLVPCVHLEHQ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50343579   
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))
BDBM50343579
PNG
(5-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCN(CCCN2c3ccccc3COc3ccc(cc23)C(O)=O)CC1
Show InChI InChI=1S/C27H31N5O5/c1-28-24(17-25(33)29(2)27(28)36)31-14-12-30(13-15-31)10-5-11-32-21-7-4-3-6-20(21)18-37-23-9-8-19(26(34)35)16-22(23)32/h3-4,6-9,16-17H,5,10-15,18H2,1-2H3,(H,34,35)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/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