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BDBM50295727 3-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperazin-1-yl)propyl)-10H-phenothiazin-2-yl)propanoic acid::CHEMBL560917

SMILES: Cn1c(cc(=O)n(C)c1=O)N1CCN(CCCN2c3ccccc3Sc3ccc(CCC(O)=O)cc23)CC1

InChI Key: InChIKey=RIUIDVINUPJOQH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50295727   
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))
BDBM50295727
PNG
(3-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrah...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCN(CCCN2c3ccccc3Sc3ccc(CCC(O)=O)cc23)CC1
Show InChI InChI=1S/C28H33N5O4S/c1-29-25(19-26(34)30(2)28(29)37)32-16-14-31(15-17-32)12-5-13-33-21-6-3-4-7-23(21)38-24-10-8-20(18-22(24)33)9-11-27(35)36/h3-4,6-8,10,18-19H,5,9,11-17H2,1-2H3,(H,35,36)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 105n/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