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BDBM16960 6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-chloropyridin-3-yl}isoquinoline::Isoquinoline-pyridine, 10g

SMILES: N[C@H](COc1cc(cnc1Cl)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12

InChI Key: InChIKey=BPJNKHOQHGDQRN-NRFANRHFSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 16960   
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))
BDBM16960
PNG
(6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-chl...)
Show SMILES N[C@H](COc1cc(cnc1Cl)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C25H21ClN4O/c26-25-24(31-15-21(27)10-20-14-29-23-4-2-1-3-22(20)23)11-19(13-30-25)16-5-6-18-12-28-8-7-17(18)9-16/h1-9,11-14,21,29H,10,15,27H2/t21-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/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))
BDBM16960
PNG
(6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-chl...)
Show SMILES N[C@H](COc1cc(cnc1Cl)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C25H21ClN4O/c26-25-24(31-15-21(27)10-20-14-29-23-4-2-1-3-22(20)23)11-19(13-30-25)16-5-6-18-12-28-8-7-17(18)9-16/h1-9,11-14,21,29H,10,15,27H2/t21-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/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: 3150-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.041
BindingDB Entry DOI: 10.7270/Q2F769TT
More data for this
Ligand-Target Pair