BDBM50014846 (S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide::(S)-colchicine::7alphaH-colchicine::CHEMBL107::COLCHICINE::N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide::colchicina::colchicinum

SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC

InChI Key InChIKey=IAKHMKGGTNLKSZ-INIZCTEOSA-N

Data  5 KI  75 IC50  2 Kd  1 EC50

PDB links: 21 PDB IDs match this monomer.

  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 83 hits for monomerid = 50014846   

TargetTubulin beta chain(Sus scrofa)
University Of Bradford

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataKi:  1.60nMAssay Description:Binding affinity to pig brain tubulinMore data for this Ligand-Target Pair
TargetSolute carrier family 22 member 3(Homo sapiens (Human))
University Of Heidelberg

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataKi:  120nMAssay Description:TP_TRANSPORTER: inhibition of MPP+ uptake in OCT3-expressing HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTubulin beta-2B chain(Bos taurus)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataKi:  780nMAssay Description:Binding constant at colchicine site of bovine brain tubulinMore data for this Ligand-Target Pair
TargetTubulin alpha-1A chain(Sus scrofa (Pig))
TBA

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataKi:  2.50E+3nMAssay Description:Compound was evaluated for its ability to inhibit the binding of [3H]-colchicine to tubulin in competitive binding assayMore data for this Ligand-Target Pair
TargetTubulin beta chain(Sus scrofa)
University Of Bradford

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataKi:  5.75E+3nMAssay Description:Binding affinity against tubulin usingf [3H]-colchicine as radioligandMore data for this Ligand-Target Pair
TargetNuclear receptor subfamily 0 group B member 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50: >6.76E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSteroidogenic factor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50: >6.76E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTubulin beta-2B chain(Bos taurus)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  800nMAssay Description:Inhibition of tubulin polymerizationMore data for this Ligand-Target Pair
TargetTubulin beta-2B chain(Bos taurus)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  800nMAssay Description:Inhibition of bovine tubulin polymerizationMore data for this Ligand-Target Pair
TargetTubulin beta-2B chain(Bos taurus)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  1.12E+7nMAssay Description:Inhibition of tubulin polymerizationMore data for this Ligand-Target Pair
TargetTubulin polymerization-promoting protein(Bos taurus)
Rohm And Haas

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataEC50:  750nMAssay Description:Inhibition of Bos taurus (bovine) brain tubulin polymerizationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTubulin alpha-1A chain(Sus scrofa (Pig))
TBA

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  800nMAssay Description:Inhibition of tubulin polymerization(ITP)More data for this Ligand-Target Pair
TargetSimilar to alpha-tubulin isoform 1(Bos taurus)
Nanjing University

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  1.34E+3nMAssay Description:Inhibition of bovine brain tubulin polymerization after 20 mins by turbidimetric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSimilar to alpha-tubulin isoform 1/Tubulin beta-2B chain(Bos taurus)
Csir-Indian Institute Of Chemical Technology

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  1.70E+3nMAssay Description:Inhibition of bovine brain tubulin polymerization measured for 1 hr by fluorescence assayMore data for this Ligand-Target Pair
TargetSimilar to alpha-tubulin isoform 1(Bos taurus)
Nanjing University

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  1.34E+3nMAssay Description:Inhibition of bovine brain tubulin polymerization incubated for 20 mins by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of recombinant human HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 2(Homo sapiens (Human))
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of recombinant human HDAC2 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 3(Homo sapiens (Human))
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of recombinant human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSimilar to alpha-tubulin isoform 1/Tubulin beta-2B chain(Bos taurus)
Nanjing University

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  2.62E+3nMAssay Description:Inhibition of bovine brain tubulin polymerization extent after 20 mins by turbidimetricallyMore data for this Ligand-Target Pair
TargetSimilar to alpha-tubulin isoform 1/Tubulin beta-2B chain(Bos taurus)
Nanjing University

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  1.90E+3nMAssay Description:Inhibition of bovine brain tubulin polymerization after 30 minsMore data for this Ligand-Target Pair
TargetTubulin beta chain(Sus scrofa)
University Of Bradford

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  3.79E+3nMAssay Description:Inhibition of porcine tubulin polymerization by UV-Vis microplate reader analysisMore data for this Ligand-Target Pair
TargetTubulin alpha-1A chain(Sus scrofa (Pig))
TBA

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  1.50E+3nMAssay Description:The compound was evaluated in vitro for the mammalian brain tubulin polymerization using standard assay.More data for this Ligand-Target Pair
TargetTubulin beta-2B chain(Bos taurus)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  3.50E+3nMAssay Description:Compound was evaluated for in vitro inhibitory activity against polymerization of tubulin into microtubules isolated from bovine brain at 1 mg/mL tub...More data for this Ligand-Target Pair
TargetTubulin alpha-1A chain(Sus scrofa (Pig))
TBA

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  1.90E+3nMAssay Description:Tested for 50 % inhibition of tubulin polymerization by turbidimetric assayMore data for this Ligand-Target Pair
TargetTubulin beta-2B chain(Bos taurus)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  2.40E+3nMAssay Description:Inhibitory effect on the polymerization of purified bovine brain tubulin.More data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Mus musculus (Mouse))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of P-glycoprotein, mouse L-mdr1a expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of P-glycoprotein, human L-MDR1 expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human cytochrome P450 3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Mus musculus)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of P-glycoprotein using calcein-AM assay transfected in porcine PBCECMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSimilar to alpha-tubulin isoform 1(Bos taurus)
Nanjing University

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  2.50E+3nMAssay Description:In vitro inhibition of purified bovine brain tubulin polymerisation in the absence of microtubule-associated proteins.More data for this Ligand-Target Pair
In DepthDetails
TargetSimilar to alpha-tubulin isoform 1(Bos taurus)
Nanjing University

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  8.70E+3nMAssay Description:Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 45 degree CMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSimilar to alpha-tubulin isoform 1(Bos taurus)
Nanjing University

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  1.12E+4nMAssay Description:Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 30 degree CMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSimilar to alpha-tubulin isoform 1(Bos taurus)
Nanjing University

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  8.70E+3nMAssay Description:Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 37 degree CMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTubulin beta chain(Sus scrofa)
University Of Bradford

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  2.93E+4nMAssay Description:Concentration of compound required to inhibit tubulin polymerization (Microtubule assembly) was determined by the turbidity formation after 20 min of...More data for this Ligand-Target Pair
TargetTubulin alpha-1A chain(Sus scrofa (Pig))
TBA

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  4.17E+3nMAssay Description:Inhibition of tubulin polymerization interacting at the colchicine binding site.More data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50: >5.00E+4nMAssay Description:TP_TRANSPORTER: inhibition of Calcein-AM efflux in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSimilar to alpha-tubulin isoform 1(Bos taurus)
Nanjing University

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  1.12E+4nMAssay Description:Compound was evaluated for inhibition of tubulin polymerization using purified bovine brain tubulin, activity expressed as IC50More data for this Ligand-Target Pair
In DepthDetails
TargetTubulin beta chain(Sus scrofa)
University Of Bradford

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  1.00E+4nMAssay Description:In vitro tubulin polymerization-inhibitory activity.More data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50: >1.35E+5nMAssay Description:Compound was tested for its ability to inhibit C-C chemokine receptor type 3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  2.99E+5nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
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
TargetSimilar to alpha-tubulin isoform 1(Bos taurus)
Nanjing University

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  4.20E+3nMAssay Description:Inhibition of tubulin polymerization with preincubation for 15 minutes at 37 degree Centigrade prior to addition of the GTP required for polymerizati...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
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
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
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 DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
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
TargetTubulin beta chain(Homo sapiens)
National Research Centre

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  6.93E+3nMAssay Description:Inhibition of tubulin beta polymerization in human MCF7 cells after 18 to 24 hrs by ELISA based spectrophotometric analysisMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase pim-1(Homo sapiens (Human))
Ain Shams University

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  4.30E+3nMAssay Description:Inhibition of human PIM1 measured after 5 mins by ELISA relative to controlMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTubulin beta chain(Sus scrofa)
University Of Bradford

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  1.26E+3nMAssay Description:In vitro inhibitory concentration required to displace [3H]colchicine from its binding site on tubulinMore data for this Ligand-Target Pair
TargetTubulin beta chain(Sus scrofa)
University Of Bradford

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Affinity DataIC50:  1.40E+3nMAssay Description:In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees CMore data for this Ligand-Target Pair
Displayed 1 to 50 (of 83 total ) | Next | Last >>