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SMILES: COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c3ncn(C4CCC4)c3n2)cc1

InChI Key: InChIKey=MDEOMAUPXVVVKD-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50473490   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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)		BDBM50473490
PNG
(CHEMBL139200)
Show SMILES COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c3ncn(C4CCC4)c3n2)cc1
Show InChI InChI=1S/C25H28N6O2/c1-32-20-10-6-17(7-11-20)14-26-23-22-24(31(16-28-22)19-4-3-5-19)30-25(29-23)27-15-18-8-12-21(33-2)13-9-18/h6-13,16,19H,3-5,14-15H2,1-2H3,(H2,26,27,29,30)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization using bovine brain tubulin

J Med Chem 44: 4497-500 (2001)


Article DOI: 10.1021/jm010451+
BindingDB Entry DOI: 10.7270/Q2XW4NJH
More data for this
Ligand-Target Pair