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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tubulin alpha-1A chain' and Ligand = 'BDBM50072182'   
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))		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