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Compile Data Set for Download or QSAR

Found 104 hits Enz. Inhib. hit(s) with all data for entry = 50041282   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50037463
PNG
(2-(3-Methoxy-phenyl)-6-morpholin-4-yl-1H-quinolin-...)
Show SMILES COc1cccc(c1)-c1cc(O)c2cc(ccc2n1)N1CCOCC1
Show InChI InChI=1S/C20H20N2O3/c1-24-16-4-2-3-14(11-16)19-13-20(23)17-12-15(5-6-18(17)21-19)22-7-9-25-10-8-22/h2-6,11-13H,7-10H2,1H3,(H,21,23)
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n/an/a 363n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50037454
PNG
(6-(3-Chloro-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin...)
Show SMILES Oc1cc(nc2cc3OCOc3cc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H10ClNO3/c17-10-3-1-2-9(4-10)12-6-14(19)11-5-15-16(21-8-20-15)7-13(11)18-12/h1-7H,8H2,(H,18,19)
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n/an/a 372n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50037448
PNG
(6-Dimethylamino-2-(3-methoxy-phenyl)-1H-quinolin-4...)
Show SMILES COc1cccc(c1)-c1cc(O)c2cc(ccc2n1)N(C)C
Show InChI InChI=1S/C18H18N2O2/c1-20(2)13-7-8-16-15(10-13)18(21)11-17(19-16)12-5-4-6-14(9-12)22-3/h4-11H,1-3H3,(H,19,21)
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n/an/a 380n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50037450
PNG
(2-(3-Methoxy-phenyl)-6-pyrrolidin-1-yl-1H-quinolin...)
Show SMILES COc1cccc(c1)-c1cc(O)c2cc(ccc2n1)N1CCCC1
Show InChI InChI=1S/C20H20N2O2/c1-24-16-6-4-5-14(11-16)19-13-20(23)17-12-15(7-8-18(17)21-19)22-9-2-3-10-22/h4-8,11-13H,2-3,9-10H2,1H3,(H,21,23)
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n/an/a 437n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50409014
PNG
(CHEMBL50139)
Show SMILES Oc1cc(nc2cc3OCOc3cc12)-c1cccc(OC(=O)c2ccccc2)c1
Show InChI InChI=1S/C23H15NO5/c25-20-11-18(24-19-12-22-21(10-17(19)20)27-13-28-22)15-7-4-8-16(9-15)29-23(26)14-5-2-1-3-6-14/h1-12H,13H2,(H,24,25)
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n/an/a 447n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50106309
PNG
(2-(2'-fluorophenyl)-6-pyrolinyl-4-(1H)-quinolone |...)
Show SMILES Oc1cc(nc2ccc(cc12)N1CCCC1)-c1ccccc1F
Show InChI InChI=1S/C19H17FN2O/c20-16-6-2-1-5-14(16)18-12-19(23)15-11-13(7-8-17(15)21-18)22-9-3-4-10-22/h1-2,5-8,11-12H,3-4,9-10H2,(H,21,23)
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n/an/a 457n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50037462
PNG
(6-(3-Hydroxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinoli...)
Show SMILES Oc1cccc(c1)-c1cc(O)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C16H11NO4/c18-10-3-1-2-9(4-10)12-6-14(19)11-5-15-16(21-8-20-15)7-13(11)17-12/h1-7,18H,8H2,(H,17,19)
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n/an/a 468n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50037457
PNG
(6-(3-Fluoro-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin...)
Show SMILES Oc1cc(nc2cc3OCOc3cc12)-c1cccc(F)c1
Show InChI InChI=1S/C16H10FNO3/c17-10-3-1-2-9(4-10)12-6-14(19)11-5-15-16(21-8-20-15)7-13(11)18-12/h1-7H,8H2,(H,18,19)
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n/an/a 525n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50059968
PNG
(2-(3-Fluoro-phenyl)-7-methyl-1H-[1,8]naphthyridin-...)
Show SMILES Cc1ccc2c(O)cc(nc2n1)-c1cccc(F)c1
Show InChI InChI=1S/C15H11FN2O/c1-9-5-6-12-14(19)8-13(18-15(12)17-9)10-3-2-4-11(16)7-10/h2-8H,1H3,(H,17,18,19)
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n/an/a 525n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50059964
PNG
(6-Methyl-2-naphthalen-1-yl-1H-[1,8]naphthyridin-4-...)
Show SMILES Cc1cnc2nc(cc(O)c2c1)-c1cccc2ccccc12
Show InChI InChI=1S/C19H14N2O/c1-12-9-16-18(22)10-17(21-19(16)20-11-12)15-8-4-6-13-5-2-3-7-14(13)15/h2-11H,1H3,(H,20,21,22)
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n/an/a 550n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50056948
PNG
(CHEMBL49847 | Isonicotinic acid (S)-1,2,3-trimetho...)
Show SMILES COc1cc2CC[C@H](OC(=O)c3ccncc3)c3cc(=O)c(SC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C26H25NO6S/c1-30-21-13-16-5-7-20(33-26(29)15-9-11-27-12-10-15)18-14-19(28)22(34-4)8-6-17(18)23(16)25(32-3)24(21)31-2/h6,8-14,20H,5,7H2,1-4H3/t20-/m0/s1
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n/an/a 562n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50037444
PNG
(6-(3-Methoxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinoli...)
Show SMILES COc1cccc(c1)-c1cc(O)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C17H13NO4/c1-20-11-4-2-3-10(5-11)13-7-15(19)12-6-16-17(22-9-21-16)8-14(12)18-13/h2-8H,9H2,1H3,(H,18,19)
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n/an/a 575n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50409024
PNG
(CHEMBL48525)
Show SMILES COc1cccc(c1)C1=Nc2ncccc2C(C)C1 |t:9|
Show InChI InChI=1S/C16H16N2O/c1-11-9-15(12-5-3-6-13(10-12)19-2)18-16-14(11)7-4-8-17-16/h3-8,10-11H,9H2,1-2H3
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n/an/a 617n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50059971
PNG
(2-(3-Fluoro-phenyl)-6-methyl-1H-[1,8]naphthyridin-...)
Show SMILES Cc1cnc2nc(cc(O)c2c1)-c1cccc(F)c1
Show InChI InChI=1S/C15H11FN2O/c1-9-5-12-14(19)7-13(18-15(12)17-8-9)10-3-2-4-11(16)6-10/h2-8H,1H3,(H,17,18,19)
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n/an/a 631n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50037459
PNG
(6-(3-Methylamino-phenyl)-5H-[1,3]dioxolo[4,5-g]qui...)
Show SMILES CNc1cccc(c1)-c1cc(O)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C17H14N2O3/c1-18-11-4-2-3-10(5-11)13-7-15(20)12-6-16-17(22-9-21-16)8-14(12)19-13/h2-8,18H,9H2,1H3,(H,19,20)
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n/an/a 646n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50009568
PNG
((Thiocolchicine)N-(1,2,3-Trimethoxy-10-methylsulfa...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(SC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C22H25NO5S/c1-12(24)23-16-8-6-13-10-18(26-2)21(27-3)22(28-4)20(13)14-7-9-19(29-5)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
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n/an/a 646n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50059966
PNG
(7-Methyl-2-naphthalen-1-yl-1H-[1,8]naphthyridin-4-...)
Show SMILES Cc1ccc2c(O)cc(nc2n1)-c1cccc2ccccc12
Show InChI InChI=1S/C19H14N2O/c1-12-9-10-16-18(22)11-17(21-19(16)20-12)15-8-4-6-13-5-2-3-7-14(13)15/h2-11H,1H3,(H,20,21,22)
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n/an/a 661n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50063845
PNG
((S)-6-(3-Methoxy-phenyl)-6,7-dihydro-5H-[1,3]dioxo...)
Show SMILES COc1cccc(c1)[C@@H]1CC(=O)c2cc3OCOc3cc2N1
Show InChI InChI=1S/C17H15NO4/c1-20-11-4-2-3-10(5-11)13-7-15(19)12-6-16-17(22-9-21-16)8-14(12)18-13/h2-6,8,13,18H,7,9H2,1H3/t13-/m0/s1
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n/an/a 692n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50037453
PNG
(6-(3-Amino-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-...)
Show SMILES Nc1cccc(c1)-c1cc(O)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C16H12N2O3/c17-10-3-1-2-9(4-10)12-6-14(19)11-5-15-16(21-8-20-15)7-13(11)18-12/h1-7H,8,17H2,(H,18,19)
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n/an/a 724n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50409011
PNG
(CHEMBL45711)
Show SMILES COc1cccc(c1)-c1cc(O)c2c(Cl)ccnc2n1
Show InChI InChI=1S/C15H11ClN2O2/c1-20-10-4-2-3-9(7-10)12-8-13(19)14-11(16)5-6-17-15(14)18-12/h2-8H,1H3,(H,17,18,19)
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n/an/a 724n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50059961
PNG
(2-(3-Chloro-phenyl)-6-methyl-1H-[1,8]naphthyridin-...)
Show SMILES Cc1cnc2nc(cc(O)c2c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C15H11ClN2O/c1-9-5-12-14(19)7-13(18-15(12)17-8-9)10-3-2-4-11(16)6-10/h2-8H,1H3,(H,17,18,19)
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n/an/a 724n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50059975
PNG
(2-(3-Fluoro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyri...)
Show SMILES Cc1cc(C)c2c(O)cc(nc2n1)-c1cccc(F)c1
Show InChI InChI=1S/C16H13FN2O/c1-9-6-10(2)18-16-15(9)14(20)8-13(19-16)11-4-3-5-12(17)7-11/h3-8H,1-2H3,(H,18,19,20)
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n/an/a 741n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50056949
PNG
(CHEMBL49518 | Nicotinic acid (S)-1,2,3-trimethoxy-...)
Show SMILES COc1cc2CC[C@H](OC(=O)c3cccnc3)c3cc(=O)c(SC)ccc3-c2c(OC)c1OC
Show InChI InChI=1S/C26H25NO6S/c1-30-21-12-15-7-9-20(33-26(29)16-6-5-11-27-14-16)18-13-19(28)22(34-4)10-8-17(18)23(15)25(32-3)24(21)31-2/h5-6,8,10-14,20H,7,9H2,1-4H3/t20-/m0/s1
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n/an/a 759n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50059117
PNG
(2-(3-Methoxy-phenyl)-7-methyl-1H-[1,8]naphthyridin...)
Show SMILES COc1cccc(c1)-c1cc(O)c2ccc(C)nc2n1
Show InChI InChI=1S/C16H14N2O2/c1-10-6-7-13-15(19)9-14(18-16(13)17-10)11-4-3-5-12(8-11)20-2/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 759n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50059976
PNG
(2-(3-Chloro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyri...)
Show SMILES Cc1cc(C)c2c(O)cc(nc2n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H13ClN2O/c1-9-6-10(2)18-16-15(9)14(20)8-13(19-16)11-4-3-5-12(17)7-11/h3-8H,1-2H3,(H,18,19,20)
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n/an/a 776n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50059978
PNG
(5,7-Dimethyl-2-naphthalen-1-yl-1H-[1,8]naphthyridi...)
Show SMILES Cc1cc(C)c2c(O)cc(nc2n1)-c1cccc2ccccc12
Show InChI InChI=1S/C20H16N2O/c1-12-10-13(2)21-20-19(12)18(23)11-17(22-20)16-9-5-7-14-6-3-4-8-15(14)16/h3-11H,1-2H3,(H,21,22,23)
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n/an/a 776n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50059111
PNG
(2-(3-Methoxy-phenyl)-6-methyl-1H-[1,8]naphthyridin...)
Show SMILES COc1cccc(c1)-c1cc(O)c2cc(C)cnc2n1
Show InChI InChI=1S/C16H14N2O2/c1-10-6-13-15(19)8-14(18-16(13)17-9-10)11-4-3-5-12(7-11)20-2/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 794n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50037447
PNG
(6-(3-Trifluoromethyl-phenyl)-5H-[1,3]dioxolo[4,5-g...)
Show SMILES Oc1cc(nc2cc3OCOc3cc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H10F3NO3/c18-17(19,20)10-3-1-2-9(4-10)12-6-14(22)11-5-15-16(24-8-23-15)7-13(11)21-12/h1-7H,8H2,(H,21,22)
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n/an/a 813n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50059103
PNG
(2-(3-Methoxy-phenyl)-5,7-dimethyl-1H-[1,8]naphthyr...)
Show SMILES COc1cccc(c1)-c1cc(O)c2c(C)cc(C)nc2n1
Show InChI InChI=1S/C17H16N2O2/c1-10-7-11(2)18-17-16(10)15(20)9-14(19-17)12-5-4-6-13(8-12)21-3/h4-9H,1-3H3,(H,18,19,20)
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n/an/a 871n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50059960
PNG
(2-(3-Chloro-phenyl)-7-methyl-1H-[1,8]naphthyridin-...)
Show SMILES Cc1ccc2c(O)cc(nc2n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C15H11ClN2O/c1-9-5-6-12-14(19)8-13(18-15(12)17-9)10-3-2-4-11(16)7-10/h2-8H,1H3,(H,17,18,19)
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n/an/a 891n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50059972
PNG
(5-Methyl-2-naphthalen-1-yl-1H-[1,8]naphthyridin-4-...)
Show SMILES Cc1ccnc2nc(cc(O)c12)-c1cccc2ccccc12
Show InChI InChI=1S/C19H14N2O/c1-12-9-10-20-19-18(12)17(22)11-16(21-19)15-8-4-6-13-5-2-3-7-14(13)15/h2-11H,1H3,(H,20,21,22)
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n/an/a 933n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50059122
PNG
(2-(3-Methoxy-phenyl)-1H-[1,8]naphthyridin-4-one | ...)
Show SMILES COc1cccc(c1)-c1cc(O)c2cccnc2n1
Show InChI InChI=1S/C15H12N2O2/c1-19-11-5-2-4-10(8-11)13-9-14(18)12-6-3-7-16-15(12)17-13/h2-9H,1H3,(H,16,17,18)
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n/an/a 955n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50409007
PNG
(CHEMBL49419)
Show SMILES CC1CC(=Nc2ncccc12)c1cccc(Cl)c1 |c:3|
Show InChI InChI=1S/C15H13ClN2/c1-10-8-14(11-4-2-5-12(16)9-11)18-15-13(10)6-3-7-17-15/h2-7,9-10H,8H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50059969
PNG
(2-Naphthalen-1-yl-1H-[1,8]naphthyridin-4-one | CHE...)
Show SMILES Oc1cc(nc2ncccc12)-c1cccc2ccccc12
Show InChI InChI=1S/C18H12N2O/c21-17-11-16(20-18-15(17)9-4-10-19-18)14-8-3-6-12-5-1-2-7-13(12)14/h1-11H,(H,19,20,21)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50014875
PNG
((S)-7-Amino-1,2,3-trimethoxy-10-methylsulfanyl-6,7...)
Show SMILES COc1cc2CC[C@H](N)c3cc(=O)c(SC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C20H23NO4S/c1-23-16-9-11-5-7-14(21)13-10-15(22)17(26-4)8-6-12(13)18(11)20(25-3)19(16)24-2/h6,8-10,14H,5,7,21H2,1-4H3/t14-/m0/s1
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n/an/a 1.32E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50409001
PNG
(CHEMBL299185)
Show SMILES COc1cc2CC[C@H](NC(=O)CC(C)=O)c3cc(=O)c(SC)ccc3-c2c(OC)c1OC
Show InChI InChI=1S/C24H27NO6S/c1-13(26)10-21(28)25-17-8-6-14-11-19(29-2)23(30-3)24(31-4)22(14)15-7-9-20(32-5)18(27)12-16(15)17/h7,9,11-12,17H,6,8,10H2,1-5H3,(H,25,28)/t17-/m0/s1
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n/an/a 1.41E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50041113
PNG
(2-(3-Methoxy-phenyl)-1H-quinolin-4-one | CHEMBL276...)
Show SMILES COc1cccc(c1)-c1cc(O)c2ccccc2n1
Show InChI InChI=1S/C16H13NO2/c1-19-12-6-4-5-11(9-12)15-10-16(18)13-7-2-3-8-14(13)17-15/h2-10H,1H3,(H,17,18)
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n/an/a 1.41E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50409016
PNG
(CHEMBL52480)
Show SMILES COC(=O)c1ccc-2c(c1)C(CCc1cc(OC)c(OC)c(OC)c-21)NC(C)=O
Show InChI InChI=1S/C22H25NO6/c1-12(24)23-17-9-7-13-11-18(26-2)20(27-3)21(28-4)19(13)15-8-6-14(10-16(15)17)22(25)29-5/h6,8,10-11,17H,7,9H2,1-5H3,(H,23,24)
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n/an/a 1.41E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50056963
PNG
(4,7,7-Trimethyl-3-oxo-2-oxa-bicyclo[2.2.1]heptane-...)
Show SMILES COc1cc2CC[C@H](OC(=O)C34CCC(C)(C(=O)O3)C4(C)C)c3cc(=O)c(SC)ccc3-c2c(OC)c1OC |TLB:17:16:19:12.13|
Show InChI InChI=1S/C30H34O8S/c1-28(2)29(3)12-13-30(28,38-26(29)32)27(33)37-20-10-8-16-14-21(34-4)24(35-5)25(36-6)23(16)17-9-11-22(39-7)19(31)15-18(17)20/h9,11,14-15,20H,8,10,12-13H2,1-7H3/t20-,29?,30?/m0/s1
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n/an/a 1.41E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50059977
PNG
(6-Methyl-2-m-tolyl-1H-[1,8]naphthyridin-4-one | CH...)
Show SMILES Cc1cccc(c1)-c1cc(O)c2cc(C)cnc2n1
Show InChI InChI=1S/C16H14N2O/c1-10-4-3-5-12(6-10)14-8-15(19)13-7-11(2)9-17-16(13)18-14/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 1.51E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50064482
PNG
(2-demethylthiocolchicine | CHEMBL277239 | N-((S)-2...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(SC)ccc3-c2c(OC)c1O |r|
Show InChI InChI=1S/C21H23NO5S/c1-11(23)22-15-7-5-12-9-17(26-2)20(25)21(27-3)19(12)13-6-8-18(28-4)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1
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n/an/a 1.51E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50409021
PNG
(CHEMBL52534)
Show SMILES COc1ccc-2c(c1)C(CCc1cc(OC)c(OC)c(OC)c-21)NC(C)=O
Show InChI InChI=1S/C21H25NO5/c1-12(23)22-17-9-6-13-10-18(25-3)20(26-4)21(27-5)19(13)15-8-7-14(24-2)11-16(15)17/h7-8,10-11,17H,6,9H2,1-5H3,(H,22,23)
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n/an/a 1.51E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50081559
PNG
(2-(5-Bromo-thiophen-2-yl)-7-methyl-1H-[1,8]naphthy...)
Show SMILES Cc1ccc2c(O)cc(nc2n1)-c1ccc(Br)s1
Show InChI InChI=1S/C13H9BrN2OS/c1-7-2-3-8-10(17)6-9(16-13(8)15-7)11-4-5-12(14)18-11/h2-6H,1H3,(H,15,16,17)
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n/an/a 1.51E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50409017
PNG
(CHEMBL48462)
Show SMILES COc1ccc-2c(CC=Cc3cc(OC)c(OC)c(OC)c-23)c1 |c:8|
Show InChI InChI=1S/C19H20O4/c1-20-14-8-9-15-12(10-14)6-5-7-13-11-16(21-2)18(22-3)19(23-4)17(13)15/h5,7-11H,6H2,1-4H3
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n/an/a 1.51E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50409005
PNG
(CHEMBL48701)
Show SMILES COc1cccc(c1)-c1cc(O)c2c(Br)ccnc2n1
Show InChI InChI=1S/C15H11BrN2O2/c1-20-10-4-2-3-9(7-10)12-8-13(19)14-11(16)5-6-17-15(14)18-12/h2-8H,1H3,(H,17,18,19)
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n/an/a 1.51E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50059959
PNG
(2-(3-Chloro-phenyl)-1H-[1,8]naphthyridin-4-one | C...)
Show SMILES Oc1cc(nc2ncccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H9ClN2O/c15-10-4-1-3-9(7-10)12-8-13(18)11-5-2-6-16-14(11)17-12/h1-8H,(H,16,17,18)
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n/an/a 1.51E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50014853
PNG
(CHEMBL277998 | N-((S)-3-Hydroxy-1,2-dimethoxy-10-m...)
Show SMILES COc1c(O)cc2CC[C@H](NC(C)=O)c3cc(=O)c(SC)ccc3-c2c1OC
Show InChI InChI=1S/C21H23NO5S/c1-11(23)22-15-7-5-12-9-17(25)20(26-2)21(27-3)19(12)13-6-8-18(28-4)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1
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n/an/a 1.58E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50409018
PNG
(CHEMBL295520)
Show SMILES COc1c(O)cc2CC[C@H](NC(=O)CC(C)=O)c3cc(=O)c(SC)ccc3-c2c1OC
Show InChI InChI=1S/C23H25NO6S/c1-12(25)9-20(28)24-16-7-5-13-10-18(27)22(29-2)23(30-3)21(13)14-6-8-19(31-4)17(26)11-15(14)16/h6,8,10-11,16,27H,5,7,9H2,1-4H3,(H,24,28)/t16-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50081576
PNG
(2-(5-Chloro-thiophen-2-yl)-7-methyl-1H-[1,8]naphth...)
Show SMILES Cc1ccc2c(O)cc(nc2n1)-c1ccc(Cl)s1
Show InChI InChI=1S/C13H9ClN2OS/c1-7-2-3-8-10(17)6-9(16-13(8)15-7)11-4-5-12(14)18-11/h2-6H,1H3,(H,15,16,17)
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50081560
PNG
(7-Methyl-2-(5-methyl-thiophen-2-yl)-1H-[1,8]naphth...)
Show SMILES Cc1ccc(s1)-c1cc(O)c2ccc(C)nc2n1
Show InChI InChI=1S/C14H12N2OS/c1-8-3-5-10-12(17)7-11(16-14(10)15-8)13-6-4-9(2)18-13/h3-7H,1-2H3,(H,15,16,17)
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
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