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BDBM50295724 2-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-1,4-diazepan-1-yl)propyl)-10H-phenothiazin-2-yl)-2-methylpropanoic acid::CHEMBL562676

SMILES: Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3ccc(cc23)C(C)(C)C(O)=O)CC1

InChI Key: InChIKey=WEFSNJOGTPXLGH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50295724   
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))
BDBM50295724
PNG
(2-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrah...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3ccc(cc23)C(C)(C)C(O)=O)CC1
Show InChI InChI=1S/C30H37N5O4S/c1-30(2,28(37)38)21-11-12-25-23(19-21)35(22-9-5-6-10-24(22)40-25)16-8-14-33-13-7-15-34(18-17-33)26-20-27(36)32(4)29(39)31(26)3/h5-6,9-12,19-20H,7-8,13-18H2,1-4H3,(H,37,38)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 123n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair