Found 37 hits of ic50 for drug = Amiodarone Hydrochloride Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 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 |
More data for this Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM18957
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB
KEGG
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| PDB 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 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM18957
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 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 |
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 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 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 |
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 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
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| 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 |
More data for this Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM18957
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB
KEGG
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| PDB 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 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Lethal factor
(Bacillus anthracis) | BDBM18957
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 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 |
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 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB MMDB
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| 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 |
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 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB
UniProtKB/SwissProt
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| 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 |
More data for this Ligand-Target Pair | |
Squalene synthase
(Homo sapiens (Human)) | BDBM18957
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
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Patents
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| 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 | |
Bile salt export pump
(Homo sapiens (Human)) | BDBM18957
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB
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| 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 |
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 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
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| 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 |
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 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
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| 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 |
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 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
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| 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 |
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 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB
KEGG
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| 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 | |
Ubiquitin-conjugating enzyme E2 N
(Homo sapiens (Human)) | BDBM18957
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB MMDB
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| 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 | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM18957
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB
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| 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 |
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 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB
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| 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 |
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 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB
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| Article 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)
Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM18957
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB
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| 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 |
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 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB MMDB
KEGG
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| 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 | |
Lysine-specific demethylase PHF2
(Homo sapiens) | BDBM18957
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB
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| 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 |
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 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB MMDB
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| 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 |
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 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | Reactome pathway KEGG
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| 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 |
More data for this Ligand-Target Pair | |
Carnitine O-palmitoyltransferase 2, mitochondrial
(Homo sapiens (Human)) | BDBM18957
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | Reactome pathway KEGG
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| 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 |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 2
(Homo sapiens (Human)) | BDBM18957
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB
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| Article 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)
Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 3
(Homo sapiens (Human)) | BDBM18957
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB
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| Article 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)
Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 4
(Homo sapiens (Human)) | BDBM18957
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB
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| Article 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)
Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D |
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 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB
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Patents
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| 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 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 7A
(Homo sapiens (Human)) | BDBM18957
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB MMDB
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| 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 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 7A
(Homo sapiens (Human)) | BDBM18957
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB MMDB
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| 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-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 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(RAT) | BDBM18957
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB
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Patents
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| 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 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Gallus gallus (chicken)) | BDBM18957
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB MMDB
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Patents
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| 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 |
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 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB MMDB
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| 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 |
More data for this Ligand-Target Pair | |
Histone lysine demethylase PHF8
(Homo sapiens (Human)) | BDBM18957
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB
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| 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 |
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 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB MMDB
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Patents
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| 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 |
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 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | PDB MMDB
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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 |
More data for this Ligand-Target Pair | |