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SMILES: [I-].COc1ccc(\C=C(\C[N+](C)(C)C)c2cc(OC)c(OC)c(OC)c2)cc1

InChI Key: InChIKey=MPBMHKOTFPMJAU-PDGQHHTCSA-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 = 50471737   
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)		BDBM50471737
PNG
(CHEMBL105217)
Show SMILES [I-].COc1ccc(\C=C(\C[N+](C)(C)C)c2cc(OC)c(OC)c(OC)c2)cc1
Show InChI InChI=1S/C22H30NO4/c1-23(2,3)15-18(12-16-8-10-19(24-4)11-9-16)17-13-20(25-5)22(27-7)21(14-17)26-6/h8-14H,15H2,1-7H3/q+1/b18-12-
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/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