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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tubulin beta chain' and Ligand = 'BDBM50483306'   
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)		BDBM50483306
PNG
(CHEBI:80036 | Tubulysin D)
Show SMILES [H][C@](NC(=O)[C@@]1([H])CCCCN1C)([C@@H](C)CC)C(=O)N(COC(=O)CC(C)C)[C@H](C[C@@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C43H65N5O9S/c1-10-28(6)38(46-40(52)34-18-14-15-19-47(34)9)42(53)48(25-56-37(50)20-26(2)3)35(27(4)5)23-36(57-30(8)49)41-45-33(24-58-41)39(51)44-32(21-29(7)43(54)55)22-31-16-12-11-13-17-31/h11-13,16-17,24,26-29,32,34-36,38H,10,14-15,18-23,25H2,1-9H3,(H,44,51)(H,46,52)(H,54,55)/t28-,29-,32+,34+,35+,36+,38-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Kyorin Pharmaceutical Co Ltd

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization by microtubule assembly assay

Bioorg Med Chem Lett 21: 431-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.10.118
BindingDB Entry DOI: 10.7270/Q21J9DMW
More data for this
Ligand-Target Pair