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BDBM50058381 CHEMBL3334927

SMILES: COC(=O)[C@@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)c2cc3OCOc3cc2C=C1c1nc2ccc(Br)cc2[nH]1

InChI Key: InChIKey=FVFKRPBGFYYTAT-FTJBHMTQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50058381   
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)		BDBM50058381
PNG
(CHEMBL3334927)
Show SMILES COC(=O)[C@@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)c2cc3OCOc3cc2C=C1c1nc2ccc(Br)cc2[nH]1 |r,c:30|
Show InChI InChI=1S/C29H25BrN2O7/c1-34-23-9-15(10-24(35-2)27(23)36-3)25-17-12-22-21(38-13-39-22)8-14(17)7-18(26(25)29(33)37-4)28-31-19-6-5-16(30)11-20(19)32-28/h5-12,25-26H,13H2,1-4H3,(H,31,32)/t25-,26+/m1/s1
UniProtKB/TrEMBL

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Similars
Article
PubMed
n/an/a 860n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization by fluorescence analysis

Bioorg Med Chem 22: 5466-75 (2014)


Article DOI: 10.1016/j.bmc.2014.07.031
BindingDB Entry DOI: 10.7270/Q25D8TH0
More data for this
Ligand-Target Pair