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Compile Data Set for Download or QSAR

Found 2 hits with Last Name = 'guéritte-voegelein' and Initial = 'f'   
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))
BDBM50216333
PNG
(CHEBI:67357 | DOLASTATIN-10 | Dolastatin 10 | Dolo...)
Show SMILES [H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1 |r|
Show InChI InChI=1S/C42H68N6O6S/c1-13-28(6)37(47(10)42(52)35(26(2)3)45-40(51)36(27(4)5)46(8)9)33(53-11)25-34(49)48-22-17-20-32(48)38(54-12)29(7)39(50)44-31(41-43-21-23-55-41)24-30-18-15-14-16-19-30/h14-16,18-19,21,23,26-29,31-33,35-38H,13,17,20,22,24-25H2,1-12H3,(H,44,50)(H,45,51)/t28-,29+,31-,32-,33+,35-,36-,37-,38+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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MCE
KEGG
PC cid
PC sid
PDB
UniChem
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Laboratoire des M£canismes Mol£culaires des Communications Cellulaires (CNRS UPR 9023)

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of tubulin polymerization.


Bioorg Med Chem Lett 8: 2855-8 (1999)


BindingDB Entry DOI: 10.7270/Q2H41RX7
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50072182
PNG
((2S,5S,6R,7S,14R,15S,18S,21S,22R)-2-Benzyl-15-((S)...)
Show SMILES CC[C@H](C)[C@H]1[C@@H](CC(=O)N2CCC[C@H]2[C@H](OC)[C@H](C)C(=O)N[C@@H](Cc2ccccc2)c2nc(cs2)C(=O)O[C@H](C)[C@H](N(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1C)OC
Show InChI InChI=1S/C42H64N6O8S/c1-12-25(4)35-32(54-10)22-33(49)48-20-16-19-31(48)37(55-11)26(5)38(50)43-29(21-28-17-14-13-15-18-28)40-44-30(23-57-40)42(53)56-27(6)36(46(7)8)39(51)45-34(24(2)3)41(52)47(35)9/h13-15,17-18,23-27,29,31-32,34-37H,12,16,19-22H2,1-11H3,(H,43,50)(H,45,51)/t25-,26-,27+,29-,31-,32+,34-,35-,36-,37+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.90E+4n/an/an/an/an/an/a



Laboratoire des M£canismes Mol£culaires des Communications Cellulaires (CNRS UPR 9023)

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of tubulin polymerization


Bioorg Med Chem Lett 8: 2855-8 (1999)


BindingDB Entry DOI: 10.7270/Q2H41RX7
More data for this
Ligand-Target Pair