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BDBM50295712 10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-1,4-diazepan-1-yl)propyl)-10H-phenothiazine-4-carboxylic acid::CHEMBL560517

SMILES: Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3c2cccc3C(O)=O)CC1

InChI Key: InChIKey=JONUVZHQXKYZDL-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50295712   
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))
BDBM50295712
PNG
(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydr...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3c2cccc3C(O)=O)CC1
Show InChI InChI=1S/C27H31N5O4S/c1-28-23(18-24(33)29(2)27(28)36)31-14-6-12-30(16-17-31)13-7-15-32-20-9-3-4-11-22(20)37-25-19(26(34)35)8-5-10-21(25)32/h3-5,8-11,18H,6-7,12-17H2,1-2H3,(H,34,35)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>500n/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