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BDBM50014855 1,2,3-Trimethoxy-7-methylamino-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one::1,2,3-Trimethoxy-7-methylamino-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one (Thiodemecolcine)::CHEMBL19531

SMILES: CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc12

InChI Key: InChIKey=RRCKMQLZGKWNPR-HNNXBMFYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50014855   
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
Tubulin


(Bos taurus)		BDBM50014855
PNG
(1,2,3-Trimethoxy-7-methylamino-10-methylsulfanyl-6...)
Show SMILES CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc12
Show InChI InChI=1S/C21H25NO4S/c1-22-15-8-6-12-10-17(24-2)20(25-3)21(26-4)19(12)13-7-9-18(27-5)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3/t15-/m0/s1
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PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibitory effect on the polymerization of purified bovine brain tubulin.

J Med Chem 33: 567-71 (1990)


BindingDB Entry DOI: 10.7270/Q2FB53HZ
More data for this
Ligand-Target Pair