new BindingDB logo
myBDB logout

BDBM50343585 (Z)-2-(11-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-1,4-diazepan-1-yl)propylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid::CHEMBL1774502

SMILES: Cn1c(cc(=O)n(C)c1=O)N1CCCN(CC\C=C2\c3ccccc3COc3ccc(CC(O)=O)cc23)CC1

InChI Key: InChIKey=ODFDIJBCTCNYMX-OPVMPGTRSA-N

Data: 1 IC50

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 = 50343585   
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))
BDBM50343585
PNG
((Z)-2-(11-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-te...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CC\C=C2\c3ccccc3COc3ccc(CC(O)=O)cc23)CC1
Show InChI InChI=1S/C30H34N4O5/c1-31-27(19-28(35)32(2)30(31)38)34-14-6-13-33(15-16-34)12-5-9-24-23-8-4-3-7-22(23)20-39-26-11-10-21(17-25(24)26)18-29(36)37/h3-4,7-11,17,19H,5-6,12-16,18,20H2,1-2H3,(H,36,37)/b24-9-
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 92n/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