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BDBM16954 6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-chloropyridin-3-yl}isoquinoline::Isoquinoline-pyridine, 10a

SMILES: N[C@H](COc1cnc(Cl)c(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12

InChI Key: InChIKey=KLSYPIQWMFSSJW-FQEVSTJZSA-N

Data: 7 IC50

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 7 hits for monomerid = 16954   
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
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16954
PNG
(6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-chl...)
Show SMILES N[C@H](COc1cnc(Cl)c(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C25H21ClN4O/c26-25-23(17-5-6-18-12-28-8-7-16(18)9-17)11-21(14-30-25)31-15-20(27)10-19-13-29-24-4-2-1-3-22(19)24/h1-9,11-14,20,29H,10,15,27H2/t20-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80n/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
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM16954
PNG
(6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-chl...)
Show SMILES N[C@H](COc1cnc(Cl)c(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C25H21ClN4O/c26-25-23(17-5-6-18-12-28-8-7-16(18)9-17)11-21(14-30-25)31-15-20(27)10-19-13-29-24-4-2-1-3-22(19)24/h1-9,11-14,20,29H,10,15,27H2/t20-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/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
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM16954
PNG
(6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-chl...)
Show SMILES N[C@H](COc1cnc(Cl)c(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C25H21ClN4O/c26-25-23(17-5-6-18-12-28-8-7-16(18)9-17)11-21(14-30-25)31-15-20(27)10-19-13-29-24-4-2-1-3-22(19)24/h1-9,11-14,20,29H,10,15,27H2/t20-/m0/s1
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 73n/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
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM16954
PNG
(6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-chl...)
Show SMILES N[C@H](COc1cnc(Cl)c(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C25H21ClN4O/c26-25-23(17-5-6-18-12-28-8-7-16(18)9-17)11-21(14-30-25)31-15-20(27)10-19-13-29-24-4-2-1-3-22(19)24/h1-9,11-14,20,29H,10,15,27H2/t20-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80n/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 C, gamma


(Homo sapiens (Human))
BDBM16954
PNG
(6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-chl...)
Show SMILES N[C@H](COc1cnc(Cl)c(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C25H21ClN4O/c26-25-23(17-5-6-18-12-28-8-7-16(18)9-17)11-21(14-30-25)31-15-20(27)10-19-13-29-24-4-2-1-3-22(19)24/h1-9,11-14,20,29H,10,15,27H2/t20-/m0/s1
PDB
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UniChem
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PubMed
n/an/a 540n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses purified recombinant enzyme and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidi...


Bioorg Med Chem Lett 16: 3150-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.041
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM16954
PNG
(6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-chl...)
Show SMILES N[C@H](COc1cnc(Cl)c(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C25H21ClN4O/c26-25-23(17-5-6-18-12-28-8-7-16(18)9-17)11-21(14-30-25)31-15-20(27)10-19-13-29-24-4-2-1-3-22(19)24/h1-9,11-14,20,29H,10,15,27H2/t20-/m0/s1
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NCI pathway
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+3n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses purified recombinant enzyme and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidi...


Bioorg Med Chem Lett 16: 3150-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.041
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM16954
PNG
(6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-chl...)
Show SMILES N[C@H](COc1cnc(Cl)c(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C25H21ClN4O/c26-25-23(17-5-6-18-12-28-8-7-16(18)9-17)11-21(14-30-25)31-15-20(27)10-19-13-29-24-4-2-1-3-22(19)24/h1-9,11-14,20,29H,10,15,27H2/t20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses purified recombinant enzyme and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidi...


Bioorg Med Chem Lett 16: 3150-5 (2006)


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