BDBM50333117 (2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol::(2R,3S)-2-(2,4-Difluoro-phenyl)-3-(5-fluoro-pyrimidin-4-yl)-1-[1,2,4]triazol-1-yl-butan-2-ol::(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol::CHEMBL638::UK-109496::US9221791, Voriconazole::VORICONAZOLE::Vfend
SMILES: C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChI Key: InChIKey=BCEHBSKCWLPMDN-MGPLVRAMSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 2B6 (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | Article PubMed | 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University Curated by ChEMBL | Assay Description Inhibition of CYP2B6 in human liver microsomes assessed as bupropion 4-hydroxylation after 15 mins by Dixon plot analysis | Antimicrob Agents Chemother 53: 541-51 (2009) Article DOI: 10.1128/AAC.01123-08 BindingDB Entry DOI: 10.7270/Q2H13285 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2B6 (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | Article PubMed | 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University Curated by ChEMBL | Assay Description Inhibition of CYP2B6 in human liver microsomes assessed as efavirenz 8-hydroxylation after 10 mins by Dixon plot analysis | Antimicrob Agents Chemother 53: 541-51 (2009) Article DOI: 10.1128/AAC.01123-08 BindingDB Entry DOI: 10.7270/Q2H13285 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | DrugBank Article PubMed | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes assessed as tolbutamide 4-methylhydroxylation after 60 mins by Dixon plot analysis | Antimicrob Agents Chemother 53: 541-51 (2009) Article DOI: 10.1128/AAC.01123-08 BindingDB Entry DOI: 10.7270/Q2H13285 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | DrugBank Article PubMed | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University Curated by ChEMBL | Assay Description Inhibition of CYP2C19 in human liver microsomes assessed as S-mephenytoin 4'-hydroxylation after 60 mins by Dixon plot analysis | Antimicrob Agents Chemother 53: 541-51 (2009) Article DOI: 10.1128/AAC.01123-08 BindingDB Entry DOI: 10.7270/Q2H13285 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | DrugBank US Patent | n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Viamet Pharmaceuticals, Inc. US Patent | Assay Description Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 uM by serial dilution with DMSO:M... | US Patent US9221791 (2015) BindingDB Entry DOI: 10.7270/Q24M93B6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | DrugBank US Patent | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Viamet Pharmaceuticals, Inc. US Patent | Assay Description Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 uM by serial dilution with DMSO:M... | US Patent US9221791 (2015) BindingDB Entry DOI: 10.7270/Q24M93B6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | DrugBank US Patent | n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Viamet Pharmaceuticals, Inc. US Patent | Assay Description Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 uM by serial dilution with DMSO:M... | US Patent US9221791 (2015) BindingDB Entry DOI: 10.7270/Q24M93B6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
14-alpha sterol demethylase (Neosartorya fumigata) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | PDB Article PubMed | n/a | n/a | n/a | 423 | n/a | n/a | n/a | n/a | n/a |
Swansea University Curated by ChEMBL | Assay Description Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme B expressed in Escherichia coli | Antimicrob Agents Chemother 54: 4225-34 (2010) Article DOI: 10.1128/AAC.00316-10 BindingDB Entry DOI: 10.7270/Q2X34XRK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of human ERG expressed in CHO cells by whole-cell patch clamp assay | J Med Chem 57: 3687-706 (2014) Article DOI: 10.1021/jm4016284 BindingDB Entry DOI: 10.7270/Q2CF9RNJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | DrugBank Article PubMed | n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Viamet Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human hepatocytes using testosterone as substrate by HPLC/MS/MS method | Bioorg Med Chem Lett 24: 3455-8 (2014) Article DOI: 10.1016/j.bmcl.2014.05.068 BindingDB Entry DOI: 10.7270/Q2QF8VHQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2B6 (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 1.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University Curated by ChEMBL | Assay Description Inhibition of CYP2B6 in human liver microsomes assessed as efavirenz 8-hydroxylation after 10 mins | Antimicrob Agents Chemother 53: 541-51 (2009) Article DOI: 10.1128/AAC.01123-08 BindingDB Entry DOI: 10.7270/Q2H13285 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | DrugBank Article PubMed | n/a | n/a | 3.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes assessed as tolbutamide 4'-hydroxylation after 60 mins | Antimicrob Agents Chemother 53: 541-51 (2009) Article DOI: 10.1128/AAC.01123-08 BindingDB Entry DOI: 10.7270/Q2H13285 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | DrugBank Article PubMed | n/a | n/a | 5.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University Curated by ChEMBL | Assay Description Inhibition of CYP2C19 in human liver microsomes assessed as S-mephenytoin 4'-hydroxylation after 60 mins | Antimicrob Agents Chemother 53: 541-51 (2009) Article DOI: 10.1128/AAC.01123-08 BindingDB Entry DOI: 10.7270/Q2H13285 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | DrugBank Article PubMed | n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University Curated by ChEMBL | Assay Description Inhibition of CYP2C9 using tolbutamide as probe | Antimicrob Agents Chemother 53: 541-51 (2009) Article DOI: 10.1128/AAC.01123-08 BindingDB Entry DOI: 10.7270/Q2H13285 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | DrugBank Article PubMed | n/a | n/a | 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University Curated by ChEMBL | Assay Description Inhibition of CYP2C19 using S-mephenytoin as probe | Antimicrob Agents Chemother 53: 541-51 (2009) Article DOI: 10.1128/AAC.01123-08 BindingDB Entry DOI: 10.7270/Q2H13285 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2B6 (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University Curated by ChEMBL | Assay Description Inhibition of CYP2B6 in human liver microsomes assessed as bupropion 4-hydroxylation after 10 mins | Antimicrob Agents Chemother 53: 541-51 (2009) Article DOI: 10.1128/AAC.01123-08 BindingDB Entry DOI: 10.7270/Q2H13285 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2B6 (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University Curated by ChEMBL | Assay Description Inhibition of CYP2B6 in human liver microsomes assessed as 8-hydroxyefavirenz 14-hydroxylation after 10 mins | Antimicrob Agents Chemother 53: 541-51 (2009) Article DOI: 10.1128/AAC.01123-08 BindingDB Entry DOI: 10.7270/Q2H13285 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2B6 (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 1.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University Curated by ChEMBL | Assay Description Inhibition of CYP2B6 in human liver microsomes using efavirenz as probe after 10 mins | Antimicrob Agents Chemother 53: 541-51 (2009) Article DOI: 10.1128/AAC.01123-08 BindingDB Entry DOI: 10.7270/Q2H13285 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2B6 (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University Curated by ChEMBL | Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as probe after 10 mins | Antimicrob Agents Chemother 53: 541-51 (2009) Article DOI: 10.1128/AAC.01123-08 BindingDB Entry DOI: 10.7270/Q2H13285 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2B6 (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University Curated by ChEMBL | Assay Description Inhibition of CYP2B6 in human liver microsomes using 8-hydroxyefavirenz as probe after 10 mins | Antimicrob Agents Chemother 53: 541-51 (2009) Article DOI: 10.1128/AAC.01123-08 BindingDB Entry DOI: 10.7270/Q2H13285 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2B6 (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 1.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University Curated by ChEMBL | Assay Description Inhibition of human CYP2B6 expressed in baculovirus assessed as voriconazole N-oxide formation | Antimicrob Agents Chemother 53: 541-51 (2009) Article DOI: 10.1128/AAC.01123-08 BindingDB Entry DOI: 10.7270/Q2H13285 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
14-alpha sterol demethylase Cyp51A (Neosartorya fumigata (strain ATCC MYA-4609 / Af293...) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | n/a | 3.63E+3 | n/a | n/a | n/a | n/a | n/a |
Swansea University Curated by ChEMBL | Assay Description Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme A expressed in Escherichia coli | Antimicrob Agents Chemother 54: 4225-34 (2010) Article DOI: 10.1128/AAC.00316-10 BindingDB Entry DOI: 10.7270/Q2X34XRK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
14-alpha sterol demethylase (Neosartorya fumigata) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | PDB Article PubMed | n/a | n/a | n/a | 429 | n/a | n/a | n/a | n/a | n/a |
Swansea University Curated by ChEMBL | Assay Description Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme B expressed in Escherichia coli assessed as tight binding affin... | Antimicrob Agents Chemother 54: 4225-34 (2010) Article DOI: 10.1128/AAC.00316-10 BindingDB Entry DOI: 10.7270/Q2X34XRK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | 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 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lanosterol 14-alpha demethylase (Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | n/a | 165 | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description Binding affinity to Candida albicans CYP51 by spectral titration method | J Med Chem 61: 5679-5691 (2018) Article DOI: 10.1021/acs.jmedchem.8b00641 BindingDB Entry DOI: 10.7270/Q26H4KX9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | DrugBank US Patent | n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Viamet Pharmaceuticals, Inc. US Patent | Assay Description Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 μM by serial dilution with DMS... | US Patent US8883797 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JRF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | DrugBank US Patent | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Viamet Pharmaceuticals, Inc. US Patent | Assay Description Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 μM by serial dilution with DMS... | US Patent US8883797 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JRF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Voltage-gated L-type calcium channel (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 4.14E+5 | 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 | |||||||||||||
Cytochrome P450 144 (CYP144) (Mycobacterium tuberculosis) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | n/a | 1.74E+5 | n/a | n/a | n/a | n/a | n/a |
Manchester Interdisciplinary Biocentre | Assay Description Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va... | J Biol Chem 285: 38270-82 (2010) Article DOI: 10.1074/jbc.M110.164293 BindingDB Entry DOI: 10.7270/Q2251GR0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents | DrugBank US Patent | n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Viamet Pharmaceuticals, Inc. US Patent | Assay Description Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 μM by serial dilution with DMS... | US Patent US8883797 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JRF | |||||||||||
More data for this Ligand-Target Pair |