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BDBM16923 5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-2,3-dihydro-1H-indol-2-one::oxindole pyridine, 9e

SMILES: N[C@H](COc1cncc(c1)-c1ccc2NC(=O)Cc2c1)Cc1c[nH]c2ccccc12

InChI Key: InChIKey=ORUUEFDGYYTXAF-IBGZPJMESA-N

Data: 2 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 16923   
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))
BDBM16923
PNG
(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)Cc2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C24H22N4O2/c25-19(8-18-12-27-23-4-2-1-3-21(18)23)14-30-20-9-17(11-26-13-20)15-5-6-22-16(7-15)10-24(29)28-22/h1-7,9,11-13,19,27H,8,10,14,25H2,(H,28,29)/t19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20n/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))
BDBM16923
PNG
(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)Cc2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C24H22N4O2/c25-19(8-18-12-27-23-4-2-1-3-21(18)23)14-30-20-9-17(11-26-13-20)15-5-6-22-16(7-15)10-24(29)28-22/h1-7,9,11-13,19,27H,8,10,14,25H2,(H,28,29)/t19-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20n/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