BindingDB PrimarySearch

BDBM18957 (2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-diiodophenoxy}ethyl)diethylamine::AMIODARONE HYDROCHLORIDE::Amiodarone::CHEMBL633::Cordarone::L 3428::cid_441325

SMILES: CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1

InChI Key: InChIKey=IYIKLHRQXLHMJQ-UHFFFAOYSA-N

Data: 10 KI 37 IC50 1 EC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 48 hits for monomerid = 18957
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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand				J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB
University of Innsbruck Curated by ChEMBL					More data for this Ligand-Target Pair
Anti-estrogen binding site (AEBS) (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand				J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB
University of Innsbruck Curated by ChEMBL					More data for this Ligand-Target Pair
C-8 sterol isomerase (Saccharomyces cerevisiae)	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Affinity for ERG2 of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand				J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB
University of Innsbruck Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Mechanism based inhibition of human cytochrome P450 2C8 measured by paclitaxel hydroxylation using a recombinant system				Curr Drug Metab 6: 413-54 (2005) BindingDB Entry DOI: 10.7270/Q2VQ33X3
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1A4 (Rattus norvegicus)	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Digoxin uptake in Xenopus laevis oocytes				Endocrinology 142: 2005-12 (2001) Article DOI: 10.1210/endo.142.5.8115 BindingDB Entry DOI: 10.7270/Q2GF0XB3
Tohoku University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein 1 and 3 (MDR1a/MDR1b) (Mus musculus (Mouse))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1a-expressing LLC-PK1 cells				J Pharmacol Exp Ther 303: 323-32 (2002) Article DOI: 10.1124/jpet.102.037549 BindingDB Entry DOI: 10.7270/Q2NZ8BH2
St. Jude Children's Research Hospital Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bulgarian Academy of Sciences Curated by ChEMBL					Assay Description Concentration giving half of the maximal ATPase activity calculated for the high-affinity binding site of the CHO P-Glycoprotein (P-gp) in two-affini...				J Med Chem 45: 5671-86 (2002) BindingDB Entry DOI: 10.7270/Q23B60VG
Bulgarian Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in MDR1-expressing LLC-PK1 cells				J Pharmacol Exp Ther 303: 323-32 (2002) Article DOI: 10.1124/jpet.102.037549 BindingDB Entry DOI: 10.7270/Q2NZ8BH2
St. Jude Children's Research Hospital Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein 1 and 3 (MDR1a/MDR1b) (Mus musculus)	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1b-expressing LLC-PK1 cells				J Pharmacol Exp Ther 303: 323-32 (2002) Article DOI: 10.1124/jpet.102.037549 BindingDB Entry DOI: 10.7270/Q2NZ8BH2
St. Jude Children's Research Hospital Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	5.12E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Mechanism based inhibition of human cytochrome P450 2C8 measured by paclitaxel hydroxylation using human liver microsomes				Curr Drug Metab 6: 413-54 (2005) BindingDB Entry DOI: 10.7270/Q2VQ33X3
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) 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	DrugBank Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of potassium current (Ikr) measured using whole-cell patch clamp experiments in HEK-293 cells stable transfected with hERG cDNA				Cardiovasc Res 91: 53-61 (2011) Article DOI: 10.1093/cvr/cvr044 BindingDB Entry DOI: 10.7270/Q2NP264F
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) 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	DrugBank PubMed	n/a	n/a	1.00E+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
P-glycoprotein 1 (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a
Strasbourg 1 University Curated by ChEMBL					Assay Description TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation (Calcein-AM: 0.25 uM) in MDR-CEM cells				Anticancer Drugs 7: 568-78 (1997) Article DOI: 10.1097/00001813-199607000-00012 BindingDB Entry DOI: 10.7270/Q23F4QXB
Strasbourg 1 University Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	4.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kanazawa University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 0.025 uM) in MDR1-expressing LLC-PK1 cells				Eur J Pharm Sci 12: 505-13 (2001) BindingDB Entry DOI: 10.7270/Q2JH3NG1
Kanazawa University Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kanazawa University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Daunorubicin transepithelial transport (basal to apical) (Daunorubicin: 0.035 uM) in MDR1-expressing LLC-PK1 cells				Eur J Pharm Sci 12: 505-13 (2001) BindingDB Entry DOI: 10.7270/Q2JH3NG1
Kanazawa University Curated by ChEMBL					More data for this Ligand-Target Pair
Antrax lethal toxin (Bacillus anthracis)	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Protection against Bacillus anthracis lethal toxin-mediated cytotoxicity in mouse RAW264.7 cells assessed as change in viability after 24 hrs by WST1...				Antimicrob Agents Chemother 51: 2403-11 (2007) Article DOI: 10.1128/AAC.01184-06 BindingDB Entry DOI: 10.7270/Q2765G7P
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) 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	DrugBank Article PubMed	n/a	n/a	1.00E+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
Carnitine palmitoyltransferase 2 (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of human CPT2				J Med Chem 54: 3109-52 (2011) Article DOI: 10.1021/jm100809g BindingDB Entry DOI: 10.7270/Q29K4CDQ
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, muscle isoform (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of human CPT1B				J Med Chem 54: 3109-52 (2011) Article DOI: 10.1021/jm100809g BindingDB Entry DOI: 10.7270/Q29K4CDQ
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of human CPT1A				J Med Chem 54: 3109-52 (2011) Article DOI: 10.1021/jm100809g BindingDB Entry DOI: 10.7270/Q29K4CDQ
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) 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	DrugBank Article PubMed	n/a	n/a	1.00E+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
Cruzipain (Trypanosoma cruzi)	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.06E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in presence of 0.01% Triton X-100				J Med Chem 53: 4259-65 (2010) Article DOI: 10.1021/jm100254w BindingDB Entry DOI: 10.7270/Q2222VRW
University of California-San Francisco Curated by ChEMBL					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in absence of Triton X-100				J Med Chem 53: 4259-65 (2010) Article DOI: 10.1021/jm100254w BindingDB Entry DOI: 10.7270/Q2222VRW
University of California-San Francisco Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	<1.00E+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
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay 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...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) 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	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 4 (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) 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	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay 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...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay 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 ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 7A/7B (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.52E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7B (PHD) (unknown origin) preincubated for 15 mins followed by p...				Bioorg Med Chem 26: 2984-2991 (2018) Article DOI: 10.1016/j.bmc.2018.03.030 BindingDB Entry DOI: 10.7270/Q2N01912
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM5A (L88 to G353 residues) ARID/PHD1/2/3 deletion mutant (unknown origin) demethylation activity preincubated for 10 mins followed by...				Bioorg Med Chem 26: 2984-2991 (2018) Article DOI: 10.1016/j.bmc.2018.03.030 BindingDB Entry DOI: 10.7270/Q2N01912
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase PHF2 (Homo sapiens)	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7C (PHD) (unknown origin) preincubated for 15 mins followed by p...				Bioorg Med Chem 26: 2984-2991 (2018) Article DOI: 10.1016/j.bmc.2018.03.030 BindingDB Entry DOI: 10.7270/Q2N01912
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM5A (M1 to L801 residues) PHD2/3 deletion mutant (unknown origin) demethylation activity preincubated for 10 mins followed by peptide...				Bioorg Med Chem 26: 2984-2991 (2018) Article DOI: 10.1016/j.bmc.2018.03.030 BindingDB Entry DOI: 10.7270/Q2N01912
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM5A (M1 to L801 residues) PHD2/3 deletion mutant (unknown origin) demethylation activity preincubated for 10 mins followed by peptide...				Bioorg Med Chem 26: 2984-2991 (2018) Article DOI: 10.1016/j.bmc.2018.03.030 BindingDB Entry DOI: 10.7270/Q2N01912
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 7 (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD-JmjC) (unknown origin) preincubated for 15 mins followed...				Bioorg Med Chem 26: 2984-2991 (2018) Article DOI: 10.1016/j.bmc.2018.03.030 BindingDB Entry DOI: 10.7270/Q2N01912
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 7A/7B (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.56E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD) (unknown origin) preincubated for 15 mins followed by p...				Bioorg Med Chem 26: 2984-2991 (2018) Article DOI: 10.1016/j.bmc.2018.03.030 BindingDB Entry DOI: 10.7270/Q2N01912
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Voltage-gated L-type calcium channel (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
ChanTest Corporation Curated by ChEMBL					Assay Description Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits				Sci Rep 3: (2013) Article DOI: 10.1038/srep02100 BindingDB Entry DOI: 10.7270/Q2RB77K2
ChanTest Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Voltage-gated L-type calcium channel (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of voltage-gated L-type Ca channel (species unknown)				Cardiovasc Res 91: 53-61 (2011) Article DOI: 10.1093/cvr/cvr044 BindingDB Entry DOI: 10.7270/Q2NP264F
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Na channel (species unknown)				Cardiovasc Res 91: 53-61 (2011) Article DOI: 10.1093/cvr/cvr044 BindingDB Entry DOI: 10.7270/Q2NP264F
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Squalene synthetase (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Venezolano de Investigaciones Científicas Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi glycosomal squalene synthase				J Med Chem 49: 892-9 (2006) Article DOI: 10.1021/jm050691f BindingDB Entry DOI: 10.7270/Q2183626
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB 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	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Venezolano de Investigaciones Científicas Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi microsomal squalene synthase				J Med Chem 49: 892-9 (2006) Article DOI: 10.1021/jm050691f BindingDB Entry DOI: 10.7270/Q2183626
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB MMDB NCI pathway 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	600	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of binding of [125I]-T3 to human Thyroid hormone receptor beta 1 in CHO-K1 cells				J Med Chem 45: 623-30 (2002) BindingDB Entry DOI: 10.7270/Q27080RP
Karo Bio AB Curated by ChEMBL					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of binding of [125I]-T3 to human Thyroid hormone receptor alpha1 in CHO-K1 cells				J Med Chem 45: 623-30 (2002) BindingDB Entry DOI: 10.7270/Q27080RP
Karo Bio AB Curated by ChEMBL					More data for this Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2X34VX0
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2222S6W
					More data for this Ligand-Target Pair
thyroid beta (RAT)	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	7.6	22
University of Amsterdam					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta.				Endocrinology 137: 2807-14 (1996) Article DOI: 10.1210/endo.137.7.8770901 BindingDB Entry DOI: 10.7270/Q2ZK5DX4
University of Amsterdam					More data for this Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha) (Gallus gallus (chicken))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	7.6	22
University of Amsterdam					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Endocrinology 137: 2807-14 (1996) Article DOI: 10.1210/endo.137.7.8770901 BindingDB Entry DOI: 10.7270/Q2ZK5DX4
University of Amsterdam					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) 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	DrugBank Article PubMed	n/a	n/a	1.00E+3	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