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BDBM22875 2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)ethan-1-ol::Atarax::CHEMBL896::Durrax::Hydroxyzine::Hydroxyzine Pamoate::Hydroxyzine, (R)::Orgatrax::Vistaril

SMILES: OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1

InChI Key: InChIKey=ZQDWXGKKHFNSQK-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 22875   
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))
BDBM22875
PNG
(2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...)
Show SMILES OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2
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PubMed
1n/an/an/an/an/an/an/an/a



UCB S.A.

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM22875
PNG
(2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...)
Show SMILES OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2
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PubMed
2n/an/an/an/an/an/an/an/a



UCB S.A.

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM22875
PNG
(2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...)
Show SMILES OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2
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Article
PubMed
>1.00E+4>-7.09n/an/an/an/an/a7.437



Vrije Universiteit Amsterdam



Assay Description
Ligand displacement assays were performed on The SK-N-MC/hH4R cell homogenates. Retained radioactivity was determined by liquid scintillation countin...


J Pharmacol Exp Ther 314: 1310-21 (2005)

More data for this
Ligand-Target Pair