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

InChI Key: InChIKey=IDCOTQWQVPRTNK-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50473494   
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)		BDBM50473494
PNG
(Myoseverin)
Show SMILES COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c3ncn(C(C)C)c3n2)cc1
Show InChI InChI=1S/C24H28N6O2/c1-16(2)30-15-27-21-22(25-13-17-5-9-19(31-3)10-6-17)28-24(29-23(21)30)26-14-18-7-11-20(32-4)12-8-18/h5-12,15-16H,13-14H2,1-4H3,(H2,25,26,28,29)
UniProtKB/TrEMBL

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.00E+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