BindingDB PrimarySearch

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::med.21724, Compound 187

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

InChI Key: InChIKey=ZQDWXGKKHFNSQK-UHFFFAOYSA-N

Data: 7 KI 2 IC50 1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 22875
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Histamine H1 receptor (Homo sapiens (Human))	BDBM22875 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB S.A. Curated by PDSP K_i Database									Mol Pharmacol 61: 391-9 (2002) Article DOI: 10.1124/mol.61.2.391 BindingDB Entry DOI: 10.7270/Q2D50KJ8
UCB S.A. Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM22875 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB S.A. Curated by PDSP K_i Database									Mol Pharmacol 61: 391-9 (2002) Article DOI: 10.1124/mol.61.2.391 BindingDB Entry DOI: 10.7270/Q2D50KJ8
UCB S.A. Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM22875 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Binding affinity to histamine H1 receptor (unknown origin)				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
Jagiellonian University Medical College Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM22875 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A receptor (unknown origin)				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
Jagiellonian University Medical College Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM22875 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from rat cerebral cortex adrenergic receptor alpha1 by liquid scintillation counting method				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
Jagiellonian University Medical College Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM22875 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	378	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Binding affinity to D2 receptor (unknown origin)				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
Jagiellonian University Medical College Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22875 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	>-7.09	n/a	n/a	n/a	n/a	n/a	7.4	37
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) Article DOI: 10.1124/jpet.105.087965 BindingDB Entry DOI: 10.7270/Q2KD1W6V
Vrije Universiteit Amsterdam					More data for this Ligand-Target Pair
3C-like proteinase (MERS-CoV)	BDBM22875 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
University of Bonn					More data for this Ligand-Target Pair
Sodium channel protein type I I alpha subunit (Homo sapiens (Human))	BDBM22875 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea...				J Med Chem 28: 381-8 (1985) BindingDB Entry DOI: 10.7270/Q2Z321T8
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM22875 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...				Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair