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SMILES: COc1c(O)cc2CC[C@H](NC(=O)CC(C)=O)c3cc(=O)c(SC)ccc3-c2c1OC

InChI Key: InChIKey=RGFRRSAKSAXXGF-INIZCTEOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50409018   
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 alpha-1A chain


(Sus scrofa (Pig))		BDBM50409018
PNG
(CHEMBL295520)
Show SMILES COc1c(O)cc2CC[C@H](NC(=O)CC(C)=O)c3cc(=O)c(SC)ccc3-c2c1OC
Show InChI InChI=1S/C23H25NO6S/c1-12(25)9-20(28)24-16-7-5-13-10-18(27)22(29-2)23(30-3)21(13)14-6-8-19(31-4)17(26)11-15(14)16/h6,8,10-11,16,27H,5,7,9H2,1-4H3,(H,24,28)/t16-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.

J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair