BDBM50001839 CHEMBL428647::PACLITAXEL::taxol

SMILES CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1

InChI Key InChIKey=RCINICONZNJXQF-MZXODVADSA-N

Data  3 KI  39 IC50  1 EC50

PDB links: 95 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 42 hits for monomerid = 50001839   

TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Universit£tsmedizin G£ttingen

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataKi:  840nMAssay Description:Inhibition of human OATP1B1-mediated [3H]estrone 3-sulfate at after 5 mins by Dixon plot methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 1B3(Homo sapiens (Human))
Universit£tsmedizin G£ttingen

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataKi:  1.80E+3nMAssay Description:Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerum paraoxonase/arylesterase 1(Homo sapiens (Human))
Ahi Evran University

LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataKi:  1.65E+4nM IC50:  4.20E+4nMpH: 10.5Assay Description:Paraoxonase enzyme activity was determined at 25 C with paraoxon (1 mM) in 50 mM glycine-NaOH (pH 10.5) containing 1 mM CaCl2. The enzyme assay was ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 2B7(Homo sapiens (Human))
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50: >3.00E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 1A1(Homo sapiens (Human))
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50:  2.00E+4nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 2B10(Homo sapiens (Human))
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50: >3.00E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
Universit£ degli Studi di Padova

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of Src (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Universit£ degli Studi di Padova

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of EGFR (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFibroblast growth factor receptor 1(Homo sapiens (Human))
Universit£ degli Studi di Padova

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of FGFR1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analys...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Universit£ degli Studi di Padova

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of Abl1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Universit£tsmedizin G£ttingen

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50:  280nMAssay Description:Inhibition of human OATP1B1-mediated [3H]estrone 3-sulfate at after 5 mins by Dixon plot methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 1B3(Homo sapiens (Human))
Universit£tsmedizin G£ttingen

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50:  260nMAssay Description:Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Mer(Homo sapiens (Human))
Beijing Institute of Pharmacology & Toxicology

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50:  4.90E+3nMAssay Description:Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50:  5.39E+4nMAssay Description:TP_TRANSPORTER: inhibition of LDS-751 efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50:  5.40E+4nMAssay Description:TP_TRANSPORTER: inhibition of Daunorubicin efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50:  7.02E+4nMAssay Description:TP_TRANSPORTER: inhibition of Rhodamine 123 efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50:  2.68E+4nMAssay Description:TP_TRANSPORTER: increase in bodipy intracellular accumulation (Bodipy: 0.2 uM) in SK-E2 cells (expressing BSEP)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50:  2.89E+4nMAssay Description:TP_TRANSPORTER: increase in dihydrofluorescein intracellular accumulation (dihydrofluorescein: 1 uM) in SK-E2 cells (expressing BSEP)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Lakehead University and Thunder Bay Regional Research Institute

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50:  5.20E+3nMAssay Description:Inhibition of Clostridium botulinum recombinant neurotoxin A light chain using SNAPtide as substrate after 1 hr by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50:  2.60E+3nMAssay Description:Inhibition of MDR1 (unknown origin) transfected in human SKOV3 cells assessed as growth inhibition after 48 hrs by SRB assayMore data for this Ligand-Target Pair
TargetGenome polyprotein(Hepatitis C virus)
University of Wollongong

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibitory concentration against hepatitis C virus helicaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
University of Southern California

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50:  34nMAssay Description:Inhibition of human metastatic breast cancer (MDA-MB-435) cell proliferationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNucleotide-binding oligomerization domain-containing protein 2(Homo sapiens (Human))
Tsinghua University

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50:  7.94E+3nMAssay Description:Inhibition of MDP-induced human NOD2 signaling expressed in HEK-Blue cells preincubated for 3 hrs followed by MDP-stimulation for 20 hrs by spectroph...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50:  1.50E+4nMAssay Description:Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell plasma membrane vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50:  1.50E+4nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50:  2.44E+4nMAssay 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 DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
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 DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
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 DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
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 DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
University of Illinois

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50: >2.34E+5nMAssay Description:Inhibition of HIV1 RTMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50:  2.60E+3nMAssay Description:Inhibition of p-gp overexpressed in human SKOV3/M6-6 isogenic cells after 48 hrs by sulforhodamine B assayMore data for this Ligand-Target Pair
TargetTubulin beta-3 chain(Homo sapiens)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50:  7.70nMAssay Description:Inhibition of beta3 tubulin overexpressed in human HeLa cells after 48 hrs by SRB assayMore data for this Ligand-Target Pair
TargetTubulin beta chain(Sus scrofa)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataEC50:  520nMAssay Description:Induction of porcine brain tubulin polymerization after 20 mins by Bradford assayMore data for this Ligand-Target Pair
Target60 kDa heat shock protein, mitochondrial(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50:  5.60E+4nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetChaperonin GroEL(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50: >2.50E+5nMAssay Description:Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50:  1.14E+5nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 1-6(Homo sapiens (Human))
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50:  7.40E+4nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 1A4(Homo sapiens (Human))
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50:  4.90E+3nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTubulin beta-3 chain(Homo sapiens)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50:  7.70nMAssay Description:Inhibition of beta3 Tubulin (unknown origin) expressed in human HeLa cell line assessed as inhibition of cell proliferation measured after 48 hrs by ...More data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1 bd-vinblastine(Mus musculus (Mouse))
University of Washington

LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50:  3.27E+5nMT: 2°CAssay Description:For the data shown, 25 nM BD-verapamil was added to various P-gp nanodisc concentrations in the presence of 1 μM empty nanodiscs, and 50 nM BD-v...More data for this Ligand-Target Pair