BDBM22874 2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid::2-[4-(1-hydroxy-4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}butyl)phenyl]-2-methylpropanoic acid::Allegra::CHEMBL914::Fexofenadine::MDL-16455

SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1

InChI Key InChIKey=RWTNPBWLLIMQHL-UHFFFAOYSA-N

Data  4 KI  15 IC50

Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 22874   

TargetHistamine H1 receptor(Homo sapiens (Human))
UCB Pharma SA

Curated by PDSP Ki Database
LigandPNGBDBM22874(2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperi...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
Affinity DataKi:  10nMMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
UCB Pharma SA

Curated by PDSP Ki Database
LigandPNGBDBM22874(2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperi...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
Affinity DataKi:  27nMAssay Description:Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by betaplate scintillation countingMore data for this Ligand-Target Pair
TargetHistamine H4 receptor(Homo sapiens (Human))
Vrije Universiteit Amsterdam

LigandPNGBDBM22874(2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperi...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
Affinity DataKi: >1.00E+4nM ΔG°: >-7.09kcal/molepH: 7.4 T: 2°CAssay Description:Ligand displacement assays were performed on The SK-N-MC/hH4R cell homogenates. Retained radioactivity was determined by liquid scintillation countin...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Eli Lilly and Company

Curated by ChEMBL
LigandPNGBDBM22874(2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperi...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
Affinity DataKi:  2.30E+4nMAssay Description:Inhibition of human ERG channelMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
UCB Pharma SA

Curated by PDSP Ki Database
LigandPNGBDBM22874(2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperi...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
Affinity DataIC50: 78nMAssay Description:Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation countingMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Eli Lilly and Company

Curated by ChEMBL
LigandPNGBDBM22874(2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperi...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
Affinity DataIC50: 2.30E+4nMAssay Description:Inhibition of human Erg expressed in HEK293 cells assessed as rubidium efflux after 4 hrs by atomic absorbance spectrometric analysisMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Eli Lilly and Company

Curated by ChEMBL
LigandPNGBDBM22874(2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperi...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
Affinity DataIC50: 100nMAssay Description:Inhibition of human ERG in L929 cells by whole cell patch-clamp assayMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
UCB Pharma SA

Curated by PDSP Ki Database
LigandPNGBDBM22874(2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperi...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
Affinity DataIC50: 78nMAssay Description:Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Eli Lilly and Company

Curated by ChEMBL
LigandPNGBDBM22874(2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperi...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
Affinity DataIC50: 2.30E+4nMAssay Description:Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Eli Lilly and Company

Curated by ChEMBL
LigandPNGBDBM22874(2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperi...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
Affinity DataIC50: 2.16E+4nMAssay Description:K+ channel blocking activity in human embryonic kidney cells expressing HERG Kv11.1More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Eli Lilly and Company

Curated by ChEMBL
LigandPNGBDBM22874(2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperi...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
Affinity DataIC50: 2.30E+4nMAssay Description:Inhibition of human ERG potassium channel in HEK293 cells by patch clamp assayMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Eli Lilly and Company

Curated by ChEMBL
LigandPNGBDBM22874(2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperi...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
Affinity DataIC50: 2.14E+4nMAssay Description:Inhibition of human voltage-gated potassium channel subunit Kv11.1 (ERG K+ channel) in open stateMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Eli Lilly and Company

Curated by ChEMBL
LigandPNGBDBM22874(2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperi...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
Affinity DataIC50: 6.50E+4nMAssay Description:Inhibition of human ERG expressed in HEK293 cells by whole cell patch clamp methodMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Eli Lilly and Company

Curated by ChEMBL
LigandPNGBDBM22874(2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperi...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
Affinity DataIC50: 2.14E+4nMAssay Description:Inhibition of human ERG in MCF7 cellsMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
UCB Pharma SA

Curated by PDSP Ki Database
LigandPNGBDBM22874(2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperi...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
Affinity DataIC50: 78nMAssay Description:Inhibition of histamine H1 receptorMore data for this Ligand-Target Pair
TargetCytochrome P450 2J2(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM22874(2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperi...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
UCB Pharma SA

Curated by PDSP Ki Database
LigandPNGBDBM22874(2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperi...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
Affinity DataIC50: 15nMAssay Description:Inhibition of histamine H1 receptor (unknown origin)More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Eli Lilly and Company

Curated by ChEMBL
LigandPNGBDBM22874(2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperi...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
Affinity DataIC50: 2.29E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Eli Lilly and Company

Curated by ChEMBL
LigandPNGBDBM22874(2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperi...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human ERG in L929 cells at 10 uM by whole cell patch-clamp assayMore data for this Ligand-Target Pair