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PubMed code 26985296

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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 chain


(Sus scrofa)
BDBM50500878
PNG
(CHEMBL3799906)
Show SMILES COc1cc2CC[C@@H](c3cc(=O)c(OC)ccc3-c2c(OC)c1OC)n1cc(CCC(=O)OCc2ccc(F)cc2)nn1 |r|
Show InChI InChI=1S/C32H32FN3O7/c1-39-27-13-11-23-24(16-26(27)37)25(12-7-20-15-28(40-2)31(41-3)32(42-4)30(20)23)36-17-22(34-35-36)10-14-29(38)43-18-19-5-8-21(33)9-6-19/h5-6,8-9,11,13,15-17,25H,7,10,12,14,18H2,1-4H3/t25-/m0/s1
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UniChem
Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



University of Cologne

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization measured every 1 min for 60 mins by microplate reader analysis


ACS Med Chem Lett 7: 188-91 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00418
BindingDB Entry DOI: 10.7270/Q2D221NQ
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50500880
PNG
(CHEMBL3799435)
Show SMILES COc1cc2CC[C@@H](c3cc(=O)c(OC)ccc3-c2c(OC)c1OC)n1cc(COC(=O)CCNC(=O)OC(C)(C)C)nn1 |r|
Show InChI InChI=1S/C31H38N4O9/c1-31(2,3)44-30(38)32-13-12-26(37)43-17-19-16-35(34-33-19)22-10-8-18-14-25(40-5)28(41-6)29(42-7)27(18)20-9-11-24(39-4)23(36)15-21(20)22/h9,11,14-16,22H,8,10,12-13,17H2,1-7H3,(H,32,38)/t22-/m0/s1
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UniChem
Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



University of Cologne

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization measured every 1 min for 60 mins by microplate reader analysis


ACS Med Chem Lett 7: 188-91 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00418
BindingDB Entry DOI: 10.7270/Q2D221NQ
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50500879
PNG
(CHEMBL3800118)
Show SMILES COc1cc2CC[C@@H](c3cc(=O)c(OC)ccc3-c2c(OC)c1OC)n1cc(COC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)nn1 |r|
Show InChI InChI=1S/C37H42N4O9/c1-37(2,3)50-36(44)38-27(17-22-11-9-8-10-12-22)35(43)49-21-24-20-41(40-39-24)28-15-13-23-18-31(46-5)33(47-6)34(48-7)32(23)25-14-16-30(45-4)29(42)19-26(25)28/h8-12,14,16,18-20,27-28H,13,15,17,21H2,1-7H3,(H,38,44)/t27-,28-/m0/s1
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UniChem
Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



University of Cologne

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization measured every 1 min for 60 mins by microplate reader analysis


ACS Med Chem Lett 7: 188-91 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00418
BindingDB Entry DOI: 10.7270/Q2D221NQ
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
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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Similars

PDB
Article
PubMed
n/an/a 6.70n/an/an/an/an/an/a



University of Cologne

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization measured every 1 min for 60 mins by microplate reader analysis


ACS Med Chem Lett 7: 188-91 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00418
BindingDB Entry DOI: 10.7270/Q2D221NQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%