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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 = 'BDBM50517543'   
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)		BDBM50517543
PNG
(CHEMBL4572443)
Show SMILES COc1cc(Nc2ncnc3cc(sc23)-c2ccc(Br)cc2)cc(OC)c1OC
Show InChI InChI=1S/C21H18BrN3O3S/c1-26-16-8-14(9-17(27-2)19(16)28-3)25-21-20-15(23-11-24-21)10-18(29-20)12-4-6-13(22)7-5-12/h4-11H,1-3H3,(H,23,24,25)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization after 20 mins

J Med Chem 62: 1274-1290 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01391
BindingDB Entry DOI: 10.7270/Q2SQ93RH
More data for this
Ligand-Target Pair