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SMILES: Cl.[H][C@@]12C(COC1=O)[C@H](CC(=O)N1CCC(C)CC1)c1cc3OCOc3cc1[C@H]2c1cc(OC)c(O)c(OC)c1

InChI Key: InChIKey=ZTUUVUIOBAUTGE-GBRTXJOBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50230753   
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)		BDBM50230753
PNG
(CHEMBL553550)
Show SMILES Cl.[H][C@@]12C(COC1=O)[C@H](CC(=O)N1CCC(C)CC1)c1cc3OCOc3cc1[C@H]2c1cc(OC)c(O)c(OC)c1 |r|
Show InChI InChI=1S/C29H33NO8.ClH/c1-15-4-6-30(7-5-15)25(31)12-18-17-10-21-22(38-14-37-21)11-19(17)26(27-20(18)13-36-29(27)33)16-8-23(34-2)28(32)24(9-16)35-3;/h8-11,15,18,20,26-27,32H,4-7,12-14H2,1-3H3;1H/t18-,20?,26-,27+;/m1./s1
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control

J Med Chem 36: 1689-99 (1993)


BindingDB Entry DOI: 10.7270/Q2TB194D
More data for this
Ligand-Target Pair