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Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'grealish' and Initial = 'mp'   
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))
BDBM50090045
PNG
((2,3-Dihydroxy-4-methoxy-phenyl)-(3,4,5-trimethoxy...)
Show SMILES COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)c(O)c1O
Show InChI InChI=1S/C17H18O7/c1-21-11-6-5-10(15(19)16(11)20)14(18)9-7-12(22-2)17(24-4)13(8-9)23-3/h5-8,19-20H,1-4H3
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n/an/a 820n/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 43: 2731-7 (2000)


BindingDB Entry DOI: 10.7270/Q2SX6CFQ
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50005480
PNG
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
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n/an/a 1.00E+3n/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 43: 2731-7 (2000)


BindingDB Entry DOI: 10.7270/Q2SX6CFQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50090044
PNG
((Z)-2',3'-dihydroxy-3,4,4',5-tetramethoxystilbene ...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c(O)c1O
Show InChI InChI=1S/C18H20O6/c1-21-13-8-7-12(16(19)17(13)20)6-5-11-9-14(22-2)18(24-4)15(10-11)23-3/h5-10,19-20H,1-4H3/b6-5-
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n/an/a 1.10E+3n/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 43: 2731-7 (2000)


BindingDB Entry DOI: 10.7270/Q2SX6CFQ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM23940
PNG
(1,3-dimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]be...)
Show SMILES COc1ccc(\C=C/c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4-
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n/an/a 1.80E+3n/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization reported as IC50


J Med Chem 45: 2534-42 (2002)


Article DOI: 10.1021/jm010119y
BindingDB Entry DOI: 10.7270/Q20P12RK
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50005480
PNG
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
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n/an/a 2.00E+3n/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization reported as IC50


J Med Chem 45: 2534-42 (2002)


Article DOI: 10.1021/jm010119y
BindingDB Entry DOI: 10.7270/Q20P12RK
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50473760
PNG
(3,4'',5-Trismethoxybenzophenone | CHEMBL86124)
Show SMILES COc1ccc(cc1)C(=O)c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C16H16O4/c1-18-13-6-4-11(5-7-13)16(17)12-8-14(19-2)10-15(9-12)20-3/h4-10H,1-3H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization reported as IC50


J Med Chem 45: 2534-42 (2002)


Article DOI: 10.1021/jm010119y
BindingDB Entry DOI: 10.7270/Q20P12RK
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50156812
PNG
(PHENSTATIN)
Show SMILES COc1ccc(cc1O)C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C17H18O6/c1-20-13-6-5-10(7-12(13)18)16(19)11-8-14(21-2)17(23-4)15(9-11)22-3/h5-9,18H,1-4H3
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n/an/a 3.45E+3n/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization reported as IC50


J Med Chem 45: 2534-42 (2002)


Article DOI: 10.1021/jm010119y
BindingDB Entry DOI: 10.7270/Q20P12RK
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50473759
PNG
(CHEMBL87712)
Show SMILES COc1cc(OC)cc(\C=C/c2ccc(O)cc2)c1
Show InChI InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3-
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n/an/a 2.90E+4n/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization reported as IC50


J Med Chem 45: 2534-42 (2002)


Article DOI: 10.1021/jm010119y
BindingDB Entry DOI: 10.7270/Q20P12RK
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50064259
PNG
(CHEMBL289351 | Combretastatin A4 phosphate | Di-So...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OP([O-])([O-])=O
Show InChI InChI=1S/C18H21O8P/c1-22-14-8-7-12(9-15(14)26-27(19,20)21)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3/h5-11H,1-4H3,(H2,19,20,21)/p-2/b6-5-
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n/an/a>4.00E+4n/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 43: 2731-7 (2000)


BindingDB Entry DOI: 10.7270/Q2SX6CFQ
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50090046
PNG
(CHEMBL329267 | Phosphoric acid mono-[3-methoxy-2-p...)
Show SMILES COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)c(OP([O-])([O-])=O)c1OP([O-])([O-])=O
Show InChI InChI=1S/C17H20O13P2/c1-25-11-6-5-10(15(29-31(19,20)21)17(11)30-32(22,23)24)14(18)9-7-12(26-2)16(28-4)13(8-9)27-3/h5-8H,1-4H3,(H2,19,20,21)(H2,22,23,24)/p-4
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n/an/a>4.00E+4n/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 43: 2731-7 (2000)


BindingDB Entry DOI: 10.7270/Q2SX6CFQ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/a>4.00E+4n/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization reported as IC50


J Med Chem 45: 2534-42 (2002)


Article DOI: 10.1021/jm010119y
BindingDB Entry DOI: 10.7270/Q20P12RK
More data for this
Ligand-Target Pair