null
SMILES CC(C)NCC(O)COc1cccc2ccccc12
InChI Key InChIKey=AQHHHDLHHXJYJD-UHFFFAOYSA-N
PDB links: 4 PDB IDs match this monomer. 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 59 hits for monomerid = 25761
Affinity DataIC50: 17nMAssay Description:Tested for Beta-2 adrenergic receptor selectivity in canine lung tissue in anesthetized dogsMore data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibitory activity against recombinant human Cytochrome P450 2D6 (CYP2D6) after incubated for 45 minutesMore data for this Ligand-Target Pair
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Cavia porcellus)
Jagiellonian University
Curated by ChEMBL
Jagiellonian University
Curated by ChEMBL
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytesMore data for this Ligand-Target Pair
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
University of Oxford
Curated by ChEMBL
University of Oxford
Curated by ChEMBL
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of sodium current measured using whole-cell patch clamp experiments in HEK-293 cells stably transfected with hNaV1.5 cDNAMore data for this Ligand-Target Pair
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Cavia porcellus)
Jagiellonian University
Curated by ChEMBL
Jagiellonian University
Curated by ChEMBL
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of calcium current (ICaL) measured using whole-cell patch clamp experiments in isolated guinea pig ventricular myocytesMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University of Oxford
Curated by ChEMBL
University of Oxford
Curated by ChEMBL
Affinity DataIC50: 2.83E+3nMAssay Description:Inhibition of hERG K channelMore data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptakeMore data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...More data for this Ligand-Target Pair
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
Jagiellonian University
Curated by ChEMBL
Jagiellonian University
Curated by ChEMBL
Affinity DataIC50: 2.10E+4nMAssay Description:Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C sub...More data for this Ligand-Target Pair
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
TargetBeta-1 adrenergic receptor(Homo sapiens (Human))
Janssen Research Foundation
Curated by PDSP Ki Database
Janssen Research Foundation
Curated by PDSP Ki Database
Affinity DataIC50: 18nMAssay Description:Tested for Beta-1 adrenergic receptor selectivity in canine cardiac tissue in anesthetized dogsMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences
Curated by ChEMBL
Bulgarian Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 5.73E+5nMAssay Description:Concentration required for 50% inhibition at binding site of human P-Glycoprotein (P-gp) in one-affinity modelMore data for this Ligand-Target Pair
Affinity DataIC50: 35nMAssay Description:Inhibitory activity against beta-1 adrenergic receptor in guinea pig atria is determinedMore data for this Ligand-Target Pair
Affinity DataIC50: 6.32E+4nMAssay Description:Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopyMore data for this Ligand-Target Pair
Affinity DataIC50: 29nMAssay Description:Inhibitory activity against beta-2 adrenergic receptor in guinea pig tracheal strip is determinedMore data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
Virginia Commonwealth University
Curated by ChEMBL
Virginia Commonwealth University
Curated by ChEMBL
Affinity DataIC50: 30nMAssay Description:Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cellsMore data for this Ligand-Target Pair
TargetSodium/bile acid cotransporter(Homo sapiens (Human))
Vanderbilt University School of Medicine
Curated by ChEMBL
Vanderbilt University School of Medicine
Curated by ChEMBL
Affinity DataIC50: 5.50E+3nMAssay Description:TP_TRANSPORTER: inhibition of Taurocholate uptake in NTCP-expressing HeLa cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 4nMAssay Description:Concentration effective against displacing [3H]dihydroalprenolol from beta adrenergic receptor from canine ventricular tissueMore data for this Ligand-Target Pair
Affinity DataIC50: 12nMAssay Description:Tested for Beta Adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...More data for this Ligand-Target Pair
Affinity DataIC50: 1.35E+5nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
Affinity DataIC50: 5.01E+3nMAssay Description:Antagonist activity at human wild-type D2 receptor expressed in CHO-K1 cells assessed as dopamine-induced cAMP by HTRF assayMore data for this Ligand-Target Pair
Affinity DataIC50: 5.01E+3nMAssay Description:Antagonist activity at human wild-type alpha 2A receptor expressed in CHO-K1 cells assessed as epinephrine-induced cAMP by HTRF assayMore data for this Ligand-Target Pair
Affinity DataIC50: 5.01E+3nMAssay Description:Antagonist activity at human wild-type opioid-delta 1 receptor expressed in CHO-K1 cells assessed as DPDPE-induced cAMP by HTRF assayMore data for this Ligand-Target Pair
TargetBeta-1 adrenergic receptor(Homo sapiens (Human))
Janssen Research Foundation
Curated by PDSP Ki Database
Janssen Research Foundation
Curated by PDSP Ki Database
Affinity DataIC50: 251nMAssay Description:Antagonist activity at human beta1 receptor expressed in CHO-K1 cells assessed as isoproterenol-induced cAMP level by HTRF assayMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Janssen Pharmaceutica N.V.
Curated by ChEMBL
Janssen Pharmaceutica N.V.
Curated by ChEMBL
Affinity DataIC50: 5.01E+3nMAssay Description:Antagonist activity at human wild-type M3 receptor expressed in CHO-K1 cells assessed as acetylcholine-induced calcium by FDSS assayMore data for this Ligand-Target Pair
Affinity DataIC50: 5.01E+3nMAssay Description:Antagonist activity at human wild-type A2A receptor expressed in CHO-K1 cells assessed as NECA-induced cAMP by HTRF assayMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1B(Homo sapiens (Human))
University of Alberta
Curated by PDSP Ki Database
University of Alberta
Curated by PDSP Ki Database
Affinity DataIC50: 5.01E+3nMAssay Description:Antagonist activity at human 5-HT1B receptor expressed in CHO-K1 cells assessed as seretonin-induced cAMP level by HTRF assayMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
Janssen Pharmaceutica N.V.
Curated by ChEMBL
Janssen Pharmaceutica N.V.
Curated by ChEMBL
Affinity DataIC50: 5.01E+3nMAssay Description:Antagonist activity at human 5-HT2B receptor expressed in CHO-K1 cells assessed as seretonin-induced calcium level by FDSS assayMore data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Affinity DataIC50: 5.01E+3nMAssay Description:Inhibition of human CYP2D6 by LC-MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP2C19 by LC-MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP2C8 by LC-MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP2C9 by LC-MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 5.01E+3nMAssay Description:Antagonist activity at human wild-type A3 receptor expressed in CHO-K1 cells assessed as IB MECA-induced cAMP by HTRF assayMore data for this Ligand-Target Pair
Affinity DataIC50: 5.01E+3nMAssay Description:Antagonist activity at human wild-type alpha 1A receptor expressed in CHO cells assessed as EP-induced calcium by HTRF assayMore data for this Ligand-Target Pair
Affinity DataIC50: 5.01E+3nMAssay Description:Antagonist activity at human wild-type alpha 2C receptor expressed in CHO-K1 cells assessed as epinephrine-induced cAMP by HTRF assayMore data for this Ligand-Target Pair
TargetCholecystokinin receptor type A(Homo sapiens (Human))
Janssen Pharmaceutica N.V.
Curated by ChEMBL
Janssen Pharmaceutica N.V.
Curated by ChEMBL
Affinity DataIC50: 5.01E+3nMAssay Description:Antagonist activity at human wild-type CCKA receptor expressed in CHO-K1 cells assessed as CCK8-induced calcium by FDSS assayMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
Janssen Pharmaceutica N.V.
Curated by ChEMBL
Janssen Pharmaceutica N.V.
Curated by ChEMBL
Affinity DataIC50: 5.01E+3nMAssay Description:Antagonist activity at human wild-type M2 receptor expressed in CHO-K1 cells assessed as acetylcholine-induced cAMP by HTRF assayMore data for this Ligand-Target Pair
Affinity DataIC50: 5.01E+3nMAssay Description:Antagonist activity at human wild-type D1 receptor expressed in CHO cells assessed as dopamine-induced cAMP by HTRF assayMore data for this Ligand-Target Pair
Affinity DataIC50: 5.01E+3nMAssay Description:Antagonist activity at human wild-type opioid-kappa 1 receptor expressed in CHO-K1 cells assessed as U50488-induced cAMP by HTRF assayMore data for this Ligand-Target Pair
Affinity DataIC50: 5.01E+3nMAssay Description:Antagonist activity at human wild-type opioid-mu receptor expressed in CHO-K1 cells assessed as DAMGO-induced cAMP by HTRF assayMore data for this Ligand-Target Pair
Affinity DataIC50: 5.01E+3nMAssay Description:Antagonist activity at human wild-type ETA receptor expressed in CHO-K1 cells assessed as endothelin-1-induced calcium by HTRF assayMore data for this Ligand-Target Pair
Affinity DataIC50: 3.98E+3nMAssay Description:Antagonist activity at human 5-HT1A receptor expressed in CHO-K1 cells assessed as seretonin-induced cAMP level by HTRF assayMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Janssen Pharmaceutica N.V.
Curated by ChEMBL
Janssen Pharmaceutica N.V.
Curated by ChEMBL
Affinity DataIC50: 5.01E+3nMAssay Description:Antagonist activity at human 5-HT2A receptor expressed in CHO-K1 cells assessed as seretonin-induced calcium level by FDSS assayMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Janssen Pharmaceutica N.V.
Curated by ChEMBL
Janssen Pharmaceutica N.V.
Curated by ChEMBL
Affinity DataIC50: 5.01E+3nMAssay Description:Antagonist activity at human wild-type 5-HT7 receptor expressed in HEK cells assessed as seretonin-induced cAMP by HTRF assayMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
Janssen Research Foundation
Curated by PDSP Ki Database
Janssen Research Foundation
Curated by PDSP Ki Database
Affinity DataIC50: 50nMAssay Description:Antagonist activity at human beta2 receptor expressed in CHO-K1 cells assessed as isoproterenol-induced cAMP level by HTRF assayMore data for this Ligand-Target Pair