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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50034742   
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 beta-2B chain


(Bos taurus)
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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n/an/a 2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro inhibitory activity against polymerization of tubulin into microtubules isolated from bovine brain at 1 mg/mL tub...


Bioorg Med Chem Lett 3: 565-570 (1993)


Article DOI: 10.1016/S0960-894X(01)81230-0
BindingDB Entry DOI: 10.7270/Q2F76D1R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta-2B chain


(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 2.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro inhibitory activity against polymerization of tubulin into microtubules isolated from bovine brain at 1 mg/mL tub...


Bioorg Med Chem Lett 3: 565-570 (1993)


Article DOI: 10.1016/S0960-894X(01)81230-0
BindingDB Entry DOI: 10.7270/Q2F76D1R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta-2B chain


(Bos taurus)
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 |r|
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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n/an/a 3.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro inhibitory activity against polymerization of tubulin into microtubules isolated from bovine brain at 1 mg/mL tub...


Bioorg Med Chem Lett 3: 565-570 (1993)


Article DOI: 10.1016/S0960-894X(01)81230-0
BindingDB Entry DOI: 10.7270/Q2F76D1R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta-2B chain


(Bos taurus)
BDBM50281595
PNG
(2-Methoxy-6-[2-(3,4,5-trimethoxy-phenyl)-ethyl]-cy...)
Show SMILES COc1cc(CCc2cccc(OC)c(=O)c2)cc(OC)c1OC
Show InChI InChI=1S/C19H22O5/c1-21-16-7-5-6-13(10-15(16)20)8-9-14-11-17(22-2)19(24-4)18(12-14)23-3/h5-7,10-12H,8-9H2,1-4H3
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n/an/a 8.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro inhibitory activity against polymerization of tubulin into microtubules isolated from bovine brain at 1 mg/mL tub...


Bioorg Med Chem Lett 3: 565-570 (1993)


Article DOI: 10.1016/S0960-894X(01)81230-0
BindingDB Entry DOI: 10.7270/Q2F76D1R
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50281596
PNG
(2-Methylsulfanyl-6-[2-(3,4,5-trimethoxy-phenyl)-et...)
Show SMILES COc1cc(CCc2cccc(SC)c(=O)c2)cc(OC)c1OC
Show InChI InChI=1S/C19H22O4S/c1-21-16-11-14(12-17(22-2)19(16)23-3)9-8-13-6-5-7-18(24-4)15(20)10-13/h5-7,10-12H,8-9H2,1-4H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro inhibitory activity against polymerization of tubulin into microtubules isolated from bovine brain at 1 mg/mL tub...


Bioorg Med Chem Lett 3: 565-570 (1993)


Article DOI: 10.1016/S0960-894X(01)81230-0
BindingDB Entry DOI: 10.7270/Q2F76D1R
More data for this
Ligand-Target Pair