BindingDB PrimarySearch

BDBM22890 2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid::CHEMBL1000::Cetirizine::Levocetirizine

SMILES: OC(=O)COCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1

InChI Key: InChIKey=ZKLPARSLTMPFCP-UHFFFAOYSA-N

Data: 9 KI 7 IC50 1 Kd

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 22890
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))	BDBM22890 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	3.16	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))	BDBM22890 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	5.89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Research Curated by ChEMBL					Assay Description Binding affinity for human Histamine H1 receptor in CHO K1 cells				Bioorg Med Chem Lett 15: 1083-5 (2005) Article DOI: 10.1016/j.bmcl.2004.12.023 BindingDB Entry DOI: 10.7270/Q2PN954N
UCB Research Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM22890 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Libre de Bruxelles Curated by PDSP K_i Database									Eur J Biochem 224: 489-95 (1994) Article DOI: 10.1111/j.1432-1033.1994.00489.x BindingDB Entry DOI: 10.7270/Q2H70DB4
Université Libre de Bruxelles Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM22890 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Research Curated by ChEMBL					Assay Description Binding affinity towards human histamine H1 receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 14: 5591-4 (2004) Article DOI: 10.1016/j.bmcl.2004.08.060 BindingDB Entry DOI: 10.7270/Q28C9VRH
UCB Research Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM22890 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Research Curated by ChEMBL					Assay Description In vitro binding affinity towards histamine H1 receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 14: 2265-8 (2004) Article DOI: 10.1016/j.bmcl.2004.02.005 BindingDB Entry DOI: 10.7270/Q2BV7G2P
UCB Research Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM22890 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Curated by ChEMBL					Assay Description Inhibition constant against histamine H1 receptor				J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9
Organon Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM22890 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity for H1 histamine receptor expressed in CHO cells				J Med Chem 48: 2154-66 (2005) Article DOI: 10.1021/jm049495j BindingDB Entry DOI: 10.7270/Q2N0179T
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM22890 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]mepyramine from human wild-type histamine H1 receptor expressed in COS-7 cells by liquid scintillation counting				Nat Chem Biol 1: 98-103 (2006) Article DOI: 10.1038/nchembio714 BindingDB Entry DOI: 10.7270/Q2HQ415P
Vrije Universiteit Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22890 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB 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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM22890 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique				Bioorg Med Chem 16: 6252-60 (2008) Article DOI: 10.1016/j.bmc.2008.04.028 BindingDB Entry DOI: 10.7270/Q25D8T25
Hoffmann-La Roche Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM22890 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Reverse proteomics research institute Curated by ChEMBL					Assay Description Inhibitory concentration against potassium channel HERG				Bioorg Med Chem Lett 15: 2886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.03.080 BindingDB Entry DOI: 10.7270/Q29S1S7C
Reverse proteomics research institute Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug and toxin extrusion protein 1 (Homo sapiens (Human))	BDBM22890 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay				J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM22890 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human ERG potassium channel in HEK293 cells by patch clamp assay				Bioorg Med Chem Lett 16: 5507-12 (2006) Article DOI: 10.1016/j.bmcl.2006.08.039 BindingDB Entry DOI: 10.7270/Q2SF2X05
Portola Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Angiopoietin-1 receptor (Homo sapiens (Human))	BDBM22890 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a
Zhejiang Gongshang University Curated by ChEMBL					Assay Description Binding affinity to human recombinant Tie2 by SPR assay				Bioorg Med Chem Lett 22: 2388-92 (2012) Article DOI: 10.1016/j.bmcl.2012.02.036 BindingDB Entry DOI: 10.7270/Q2GF0VHH
Zhejiang Gongshang University Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM22890 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Ltd Curated by ChEMBL					Assay Description Inhibition of human Potassium channel HERG expressed in mammalian cells				Bioorg Med Chem Lett 13: 2773-5 (2003) BindingDB Entry DOI: 10.7270/Q2QZ2BGZ
Gedeon Richter Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM22890 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
TCG Lifesciences Ltd. Curated by ChEMBL					Assay Description Inhibition of human ERG				Eur J Med Chem 46: 618-30 (2011) Article DOI: 10.1016/j.ejmech.2010.11.042 BindingDB Entry DOI: 10.7270/Q2WQ052W
TCG Lifesciences Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM22890 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.08E+5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory concentration against IKr potassium channel				Bioorg Med Chem Lett 14: 4771-7 (2004) Article DOI: 10.1016/j.bmcl.2004.06.070 BindingDB Entry DOI: 10.7270/Q208661K
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair