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Compile Data Set for Download or QSAR

Found 2 hits of kd for monomerid = 50014846   
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)
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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Article
PubMed
n/an/an/a 3.70E+3n/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Binding affinity to porcine tubulin after 1 hr by spectrofluorometric analysis


Bioorg Med Chem 19: 595-602 (2011)


Article DOI: 10.1016/j.bmc.2010.10.055
BindingDB Entry DOI: 10.7270/Q2WS8X2Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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CHEMBL
MCE
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PC sid
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UniChem

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PDB
Article
PubMed
n/an/an/a 1.13E+4n/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to porcine brain tubulin polymerization by surface plasmon analysis analysis


J Med Chem 63: 827-846 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01815
BindingDB Entry DOI: 10.7270/Q280560G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)