BDBM50139772 22-oxovincaleukoblastine::leurocristine::vincristine

SMILES CC[C@]1(O)C[C@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC

InChI Key InChIKey=OGWKCGZFUXNPDA-UHFFFAOYSA-N

Data  5 KI  11 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50139772   

TargetTubulin alpha-1A chain(Pig)
TBA

Curated by ChEMBL
LigandPNGBDBM50139772(leurocristine | 22-oxovincaleukoblastine | vincris...)
Affinity DataIC50: 220nMAssay Description:The compound was evaluated in vitro for the mammalian brain tubulin polymerization using standard assay.More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2012
Entry Details Article

TargetSolute carrier organic anion transporter family member 1B3(Human)
Universit£Tsmedizin G£Ttingen

Curated by ChEMBL
LigandPNGBDBM50139772(leurocristine | 22-oxovincaleukoblastine | vincris...)
Affinity DataIC50: 3.68E+4nMAssay Description:Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2016
Entry Details Article
PubMed
TargetSolute carrier organic anion transporter family member 1B3(Human)
Universit£Tsmedizin G£Ttingen

Curated by ChEMBL
LigandPNGBDBM50139772(leurocristine | 22-oxovincaleukoblastine | vincris...)
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake incubated for 5 mins by scintillatio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
LigandPNGBDBM50139772(leurocristine | 22-oxovincaleukoblastine | vincris...)
Affinity DataIC50: 4.40E+4nMAssay Description:Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetMultidrug resistance-associated protein 1(Human)
Queen'S University

Curated by ChEMBL
LigandPNGBDBM50139772(leurocristine | 22-oxovincaleukoblastine | vincris...)
Affinity DataIC50: 7.00E+4nMAssay Description:TP_TRANSPORTER: inhibition of E217betaG uptake (E217betaG: 0.05 uM) in membrane vesicle from MRP1-expressing HeLa cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
LigandPNGBDBM50139772(leurocristine | 22-oxovincaleukoblastine | vincris...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
LigandPNGBDBM50139772(leurocristine | 22-oxovincaleukoblastine | vincris...)
Affinity DataIC50: 1.33E+5nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50139772(leurocristine | 22-oxovincaleukoblastine | vincris...)
Affinity DataIC50: 1.33E+5nMAssay 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 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
LigandPNGBDBM50139772(leurocristine | 22-oxovincaleukoblastine | vincris...)
Affinity DataIC50: 1.33E+5nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetSimilar to alpha-tubulin isoform 1(Bovine)
Upr 9023 Cnrs

Curated by ChEMBL
LigandPNGBDBM50139772(leurocristine | 22-oxovincaleukoblastine | vincris...)
Affinity DataIC50: 1.80E+3nMAssay Description:In vitro inhibition of tubulin polymerization measured as turbidity formed by centrifugationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
University of Illinois

Curated by ChEMBL
LigandPNGBDBM50139772(leurocristine | 22-oxovincaleukoblastine | vincris...)
Affinity DataIC50: 2.42E+5nMAssay Description:Inhibition of HIV1 RTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMed
TargetSolute carrier organic anion transporter family member 1B3(Human)
Universit£Tsmedizin G£Ttingen

Curated by ChEMBL
LigandPNGBDBM50139772(leurocristine | 22-oxovincaleukoblastine | vincris...)
Affinity DataKi:  9.80E+3nMAssay Description:Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake incubated for 5 mins by scintillatio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetSolute carrier organic anion transporter family member 1B3(Human)
Universit£Tsmedizin G£Ttingen

Curated by ChEMBL
LigandPNGBDBM50139772(leurocristine | 22-oxovincaleukoblastine | vincris...)
Affinity DataKi:  1.76E+4nMAssay Description:Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2016
Entry Details Article
PubMed
LigandPNGBDBM50139772(leurocristine | 22-oxovincaleukoblastine | vincris...)
Affinity DataKi:  4.20E+4nMAssay Description:Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM50139772(leurocristine | 22-oxovincaleukoblastine | vincris...)
Affinity DataKi:  2.13E+5nMAssay Description:TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) in MDR1-expressing MDCK cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
LigandPNGBDBM50139772(leurocristine | 22-oxovincaleukoblastine | vincris...)
Affinity DataKi:  8.02E+5nMAssay Description:TP_TRANSPORTER: inhibition of Vinblastine transepithelial transport (basal to apical) in MRP2-expressing MDCK cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed