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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Similar to alpha-tubulin isoform 1' and Ligand = 'BDBM50216333'   
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
Similar to alpha-tubulin isoform 1


(Bos taurus)
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

UniProtKB/TrEMBL

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



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
In vitro inhibition of tubulin polymerization measured as turbidity formed by centrifugation


J Med Chem 41: 1524-30 (1998)


Article DOI: 10.1021/jm970800t
BindingDB Entry DOI: 10.7270/Q2MW2KV5
More data for this
Ligand-Target Pair