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BDBM50230743 CHEMBL541042

SMILES: Cl.[H][C@@]12C(COC1=O)[C@H](CCN1CCC[C@@H]1CO)c1cc3OCOc3cc1[C@H]2c1cc(OC)c(O)c(OC)c1

InChI Key: InChIKey=SBXCAXNADPKMTJ-HRXKJPGOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50230743   
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)		BDBM50230743
PNG
(CHEMBL541042)
Show SMILES Cl.[H][C@@]12C(COC1=O)[C@H](CCN1CCC[C@@H]1CO)c1cc3OCOc3cc1[C@H]2c1cc(OC)c(O)c(OC)c1 |r|
Show InChI InChI=1S/C28H33NO8.ClH/c1-33-23-8-15(9-24(34-2)27(23)31)25-19-11-22-21(36-14-37-22)10-18(19)17(20-13-35-28(32)26(20)25)5-7-29-6-3-4-16(29)12-30;/h8-11,16-17,20,25-26,30-31H,3-7,12-14H2,1-2H3;1H/t16-,17-,20?,25-,26+;/m1./s1
UniProtKB/TrEMBL

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PC sid
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Similars
PubMed
n/an/a>6.20E+4n/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