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BDBM50343574 2-(5-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-1,4-diazepan-1-yl)propyl)-5,11-dihydrodibenzo-[b,e][1,4]oxazepin-7-yl)-2-methylpropanoic acid::CHEMBL1774495

SMILES: Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3COc3ccc(cc23)C(C)(C)C(O)=O)CC1

InChI Key: InChIKey=XURYOEGYBXTQTO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50343574   
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))
BDBM50343574
PNG
(2-(5-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahy...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3COc3ccc(cc23)C(C)(C)C(O)=O)CC1
Show InChI InChI=1S/C31H39N5O5/c1-31(2,29(38)39)23-11-12-26-25(19-23)36(24-10-6-5-9-22(24)21-41-26)16-8-14-34-13-7-15-35(18-17-34)27-20-28(37)33(4)30(40)32(27)3/h5-6,9-12,19-20H,7-8,13-18,21H2,1-4H3,(H,38,39)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/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