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BDBM16931 6-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}pyridin-3-yl)-1,3-benzothiazol-2(3H)-one::6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-2,3-dihydro-1,3-benzothiazol-2-one::benzothiazol-2-one, 9m

SMILES: N[C@H](COc1cncc(c1)-c1ccc2[nH]c(=O)sc2c1)Cc1c[nH]c2ccccc12

InChI Key: InChIKey=GSOOCUKQXWSOSO-KRWDZBQOSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 16931   
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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM16931
PNG
(6-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}py...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2[nH]c(=O)sc2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C23H20N4O2S/c24-17(7-16-11-26-20-4-2-1-3-19(16)20)13-29-18-8-15(10-25-12-18)14-5-6-21-22(9-14)30-23(28)27-21/h1-6,8-12,17,26H,7,13,24H2,(H,27,28)/t17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 99n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Eur J Med Chem 44: 4090-7 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.050
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16931
PNG
(6-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}py...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2[nH]c(=O)sc2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C23H20N4O2S/c24-17(7-16-11-26-20-4-2-1-3-19(16)20)13-29-18-8-15(10-25-12-18)14-5-6-21-22(9-14)30-23(28)27-21/h1-6,8-12,17,26H,7,13,24H2,(H,27,28)/t17-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
More data for this
Ligand-Target Pair