BDBM50370258 TROLEANDOMYCIN::Triacetyloleandomycin
SMILES: CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(C)=O)N(C)C)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(C)=O
InChI Key: InChIKey=LQCLVBQBTUVCEQ-QTFUVMRISA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50370258 (TROLEANDOMYCIN | Triacetyloleandomycin) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | PubMed | 8.76E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description TP_TRANSPORTER: increase in Vinblastine intracellular accumulation in MDR1-expressing LLC-PK1 cells | Mol Pharmacol 61: 964-73 (2002) BindingDB Entry DOI: 10.7270/Q2W95B7Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P-glycoprotein 1 and 3 (MDR1a/MDR1b) (Mus musculus (Mouse)) | BDBM50370258 (TROLEANDOMYCIN | Triacetyloleandomycin) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 2.17E+5 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50370258 (TROLEANDOMYCIN | Triacetyloleandomycin) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | PubMed | 4.83E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in MDR1-expressing LLC-PK1 cells | Mol Pharmacol 61: 964-73 (2002) BindingDB Entry DOI: 10.7270/Q2W95B7Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P-glycoprotein 1 and 3 (MDR1a/MDR1b) (Mus musculus) | BDBM50370258 (TROLEANDOMYCIN | Triacetyloleandomycin) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | >1.00E+6 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50370258 (TROLEANDOMYCIN | Triacetyloleandomycin) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | DrugBank Article PubMed | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of recombinant human Cytochrome P450 3A4 using BFC [7-benzyloxy-4-trifluoromethylcoumarin] after 30 minutes | J Med Chem 46: 3778-81 (2003) Article DOI: 10.1021/jm034111v BindingDB Entry DOI: 10.7270/Q2RJ4K66 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50370258 (TROLEANDOMYCIN | Triacetyloleandomycin) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 7.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of LDS-751 efflux in NIH-3T3-G185 cells | Biochem Biophys Res Commun 289: 580-5 (2001) Article DOI: 10.1006/bbrc.2001.6000 BindingDB Entry DOI: 10.7270/Q21N82C8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50370258 (TROLEANDOMYCIN | Triacetyloleandomycin) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 8.63E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Rhodamine 123 efflux in NIH-3T3-G185 cells | Biochem Biophys Res Commun 289: 580-5 (2001) Article DOI: 10.1006/bbrc.2001.6000 BindingDB Entry DOI: 10.7270/Q21N82C8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50370258 (TROLEANDOMYCIN | Triacetyloleandomycin) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | DrugBank Article PubMed | n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of recombinant human Cytochrome P450 3A4 with BFC [7-benzyloxy-4-trifluoromethylcoumarin] after 45 minutes | J Med Chem 46: 3778-81 (2003) Article DOI: 10.1021/jm034111v BindingDB Entry DOI: 10.7270/Q2RJ4K66 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50370258 (TROLEANDOMYCIN | Triacetyloleandomycin) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | DrugBank Article PubMed | n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of recombinant human Cytochrome P450 3A4 with BFC [7-benzyloxy-4-trifluoromethylcoumarin] after 15 minutes | J Med Chem 46: 3778-81 (2003) Article DOI: 10.1021/jm034111v BindingDB Entry DOI: 10.7270/Q2RJ4K66 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50370258 (TROLEANDOMYCIN | Triacetyloleandomycin) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | DrugBank Article PubMed | n/a | n/a | 6.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of recombinant human Cytochrome P450 3A4 with BFC [7-benzyloxy-4-trifluoromethylcoumarin] after 5 minutes | J Med Chem 46: 3778-81 (2003) Article DOI: 10.1021/jm034111v BindingDB Entry DOI: 10.7270/Q2RJ4K66 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2J2 (Homo sapiens (Human)) | BDBM50370258 (TROLEANDOMYCIN | Triacetyloleandomycin) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tongji University Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method | Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50370258 (TROLEANDOMYCIN | Triacetyloleandomycin) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 6.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Daunorubicin efflux in NIH-3T3-G185 cells | Biochem Biophys Res Commun 289: 580-5 (2001) Article DOI: 10.1006/bbrc.2001.6000 BindingDB Entry DOI: 10.7270/Q21N82C8 | |||||||||||
More data for this Ligand-Target Pair |