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-UHFFFAOYSA-N

Data  4 KI  8 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50370258   

TargetCytochrome P450 2J2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50370258(Triacetyloleandomycin | TROLEANDOMYCIN)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50370258(Triacetyloleandomycin | TROLEANDOMYCIN)
Affinity DataIC50: 6.10E+4nMAssay Description:Inhibition of recombinant human Cytochrome P450 3A4 with BFC [7-benzyloxy-4-trifluoromethylcoumarin] after 5 minutesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/29/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50370258(Triacetyloleandomycin | TROLEANDOMYCIN)
Affinity DataIC50: 3.30E+4nMAssay Description:Inhibition of recombinant human Cytochrome P450 3A4 with BFC [7-benzyloxy-4-trifluoromethylcoumarin] after 15 minutesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/29/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50370258(Triacetyloleandomycin | TROLEANDOMYCIN)
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibition of recombinant human Cytochrome P450 3A4 with BFC [7-benzyloxy-4-trifluoromethylcoumarin] after 45 minutesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/29/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50370258(Triacetyloleandomycin | TROLEANDOMYCIN)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of recombinant human Cytochrome P450 3A4 using BFC [7-benzyloxy-4-trifluoromethylcoumarin] after 30 minutesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/29/2012
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50370258(Triacetyloleandomycin | TROLEANDOMYCIN)
Affinity DataIC50: 6.83E+4nMAssay Description:TP_TRANSPORTER: inhibition of Daunorubicin efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50370258(Triacetyloleandomycin | TROLEANDOMYCIN)
Affinity DataIC50: 7.82E+4nMAssay Description:TP_TRANSPORTER: inhibition of LDS-751 efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50370258(Triacetyloleandomycin | TROLEANDOMYCIN)
Affinity DataIC50: 8.63E+4nMAssay Description:TP_TRANSPORTER: inhibition of Rhodamine 123 efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50370258(Triacetyloleandomycin | TROLEANDOMYCIN)
Affinity DataKi:  8.76E+4nMAssay Description:TP_TRANSPORTER: increase in Vinblastine intracellular accumulation in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50370258(Triacetyloleandomycin | TROLEANDOMYCIN)
Affinity DataKi:  4.83E+5nMAssay Description:TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Mouse)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM50370258(Triacetyloleandomycin | TROLEANDOMYCIN)
Affinity DataKi: >1.00E+6nMAssay Description:TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1b-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Mouse)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM50370258(Triacetyloleandomycin | TROLEANDOMYCIN)
Affinity DataKi:  2.17E+5nMAssay Description:TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1a-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed