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BDBM16786 5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-6-nitro-1H-indazole::indazole-pyridine, 9c

SMILES: N[C@H](COc1cncc(c1)-c1cc2cn[nH]c2cc1[N+]([O-])=O)Cc1c[nH]c2ccccc12

InChI Key: InChIKey=UUZCIFFMEXAOMZ-KRWDZBQOSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 16786   
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))
BDBM16786
PNG
(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1cc2cn[nH]c2cc1[N+]([O-])=O)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C23H20N6O3/c24-17(5-14-10-26-21-4-2-1-3-19(14)21)13-32-18-6-15(9-25-12-18)20-7-16-11-27-28-22(16)8-23(20)29(30)31/h1-4,6-12,17,26H,5,13,24H2,(H,27,28)/t17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 953n/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
BindingDB Entry DOI: 10.7270/Q2GT5N74
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16786
PNG
(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1cc2cn[nH]c2cc1[N+]([O-])=O)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C23H20N6O3/c24-17(5-14-10-26-21-4-2-1-3-19(14)21)13-32-18-6-15(9-25-12-18)20-7-16-11-27-28-22(16)8-23(20)29(30)31/h1-4,6-12,17,26H,5,13,24H2,(H,27,28)/t17-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 953n/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 15: 2441-52 (2007)


Article DOI: 10.1016/j.bmc.2007.01.010
BindingDB Entry DOI: 10.7270/Q26Q1VGQ
More data for this
Ligand-Target Pair