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Compile Data Set for Download or QSAR

Found 7 hits of ki for UniProtKB: P02550   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tubulin


(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
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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700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit the binding of [3H]-colchicine to tubulin in competitive binding assay


Bioorg Med Chem Lett 1: 471-476 (1991)


Article DOI: 10.1016/S0960-894X(01)81108-2
BindingDB Entry DOI: 10.7270/Q2Z89C92
More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50280009
PNG
(CHEMBL88059 | N-((S)-1,2,3-Trimethoxy-10-methylami...)
Show SMILES CNc1ccc2-c3c(CC[C@H](NC(C)=O)c2cc1=O)cc(OC)c(OC)c3OC
Show InChI InChI=1S/C22H26N2O5/c1-12(25)24-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-17(23-2)18(26)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,26)(H,24,25)/t16-/m0/s1
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750n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit the binding of [3H]-colchicine to tubulin in competitive binding assay


Bioorg Med Chem Lett 1: 471-476 (1991)


Article DOI: 10.1016/S0960-894X(01)81108-2
BindingDB Entry DOI: 10.7270/Q2Z89C92
More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50280140
PNG
(CHEMBL418565 | [6-(3,4,5-Trimethoxy-benzyloxy)-imi...)
Show SMILES COC(=O)Nc1cn2nc(OCc3cc(OC)c(OC)c(OC)c3)ccc2n1
Show InChI InChI=1S/C18H20N4O6/c1-24-12-7-11(8-13(25-2)17(12)26-3)10-28-16-6-5-15-19-14(9-22(15)21-16)20-18(23)27-4/h5-9H,10H2,1-4H3,(H,20,23)
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750n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for competitive inhibition with radioligand [3H]colchicine at colchicine site of mammalian tubulin


Bioorg Med Chem Lett 2: 1257-1262 (1992)


Article DOI: 10.1016/S0960-894X(00)80225-5
BindingDB Entry DOI: 10.7270/Q25X29DB
More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50014846
PNG
((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC
Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
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2.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit the binding of [3H]-colchicine to tubulin in competitive binding assay


Bioorg Med Chem Lett 1: 471-476 (1991)


Article DOI: 10.1016/S0960-894X(01)81108-2
BindingDB Entry DOI: 10.7270/Q2Z89C92
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin


(Sus scrofa (Pig))
BDBM50280008
PNG
(2-Methylamino-5-(2,3,4-trimethoxy-phenyl)-cyclohep...)
Show SMILES CNc1ccc(ccc1=O)-c1ccc(OC)c(OC)c1OC
Show InChI InChI=1S/C17H19NO4/c1-18-13-8-5-11(6-9-14(13)19)12-7-10-15(20-2)17(22-4)16(12)21-3/h5-10H,1-4H3,(H,18,19)
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2.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit the binding of [3H]-colchicine to tubulin in competitive binding assay


Bioorg Med Chem Lett 1: 471-476 (1991)


Article DOI: 10.1016/S0960-894X(01)81108-2
BindingDB Entry DOI: 10.7270/Q2Z89C92
More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50279934
PNG
(2-Methoxy-5-(2,3,4-trimethoxy-phenyl)-cyclohepta-2...)
Show SMILES COc1ccc(c(OC)c1OC)-c1ccc(OC)c(=O)cc1
Show InChI InChI=1S/C17H18O5/c1-19-14-9-6-11(5-8-13(14)18)12-7-10-15(20-2)17(22-4)16(12)21-3/h5-10H,1-4H3
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1.15E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit the binding of [3H]-colchicine to tubulin in competitive binding assay


Bioorg Med Chem Lett 1: 471-476 (1991)


Article DOI: 10.1016/S0960-894X(01)81108-2
BindingDB Entry DOI: 10.7270/Q2Z89C92
More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50280007
PNG
(2-Methylsulfanyl-5-(2,3,4-trimethoxy-phenyl)-cyclo...)
Show SMILES COc1ccc(c(OC)c1OC)-c1ccc(SC)c(=O)cc1
Show InChI InChI=1S/C17H18O4S/c1-19-14-9-7-12(16(20-2)17(14)21-3)11-5-8-13(18)15(22-4)10-6-11/h5-10H,1-4H3
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2.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit the binding of [3H]-colchicine to tubulin in competitive binding assay


Bioorg Med Chem Lett 1: 471-476 (1991)


Article DOI: 10.1016/S0960-894X(01)81108-2
BindingDB Entry DOI: 10.7270/Q2Z89C92
More data for this
Ligand-Target Pair