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SMILES: COc1cc(cc(OC)c1OC)C(=C/c1ccc(Cl)c(N)c1)\C#N

InChI Key: InChIKey=IRQPAIWSZFBTMI-MLPAPPSSSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50471742   
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)		BDBM50471742
PNG
(CHEMBL102711)
Show SMILES COc1cc(cc(OC)c1OC)C(=C/c1ccc(Cl)c(N)c1)\C#N
Show InChI InChI=1S/C18H17ClN2O3/c1-22-16-8-12(9-17(23-2)18(16)24-3)13(10-20)6-11-4-5-14(19)15(21)7-11/h4-9H,21H2,1-3H3/b13-6-
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin polymerization

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
More data for this
Ligand-Target Pair