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BDBM16585 (2S)-1-{[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yl]oxy}-3-[3-(trifluoromethyl)phenyl]propan-2-amine::3-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine::pyrazolopyridine-pyridine, 37a

SMILES: N[C@H](COc1cncc(c1)-c1cc2cn[nH]c2cn1)Cc1cccc(c1)C(F)(F)F

InChI Key: InChIKey=OZPLURSGGRWIKB-KRWDZBQOSA-N

Data: 2 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 2 hits for monomerid = 16585   
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
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM16585
PNG
((2S)-1-{[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin...)
Show SMILES N[C@H](COc1cncc(c1)-c1cc2cn[nH]c2cn1)Cc1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H18F3N5O/c22-21(23,24)16-3-1-2-13(4-16)5-17(25)12-30-18-6-14(8-26-10-18)19-7-15-9-28-29-20(15)11-27-19/h1-4,6-11,17H,5,12,25H2,(H,28,29)/t17-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 78n/an/an/an/an/an/a



Abbott Laboratories



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


J Med Chem 50: 2990-3003 (2007)


Article DOI: 10.1021/jm0701019
BindingDB Entry DOI: 10.7270/Q24X562F
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16585
PNG
((2S)-1-{[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin...)
Show SMILES N[C@H](COc1cncc(c1)-c1cc2cn[nH]c2cn1)Cc1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H18F3N5O/c22-21(23,24)16-3-1-2-13(4-16)5-17(25)12-30-18-6-14(8-26-10-18)19-7-15-9-28-29-20(15)11-27-19/h1-4,6-11,17H,5,12,25H2,(H,28,29)/t17-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.20n/an/an/an/an/an/a



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...


J Med Chem 50: 2990-3003 (2007)


Article DOI: 10.1021/jm0701019
BindingDB Entry DOI: 10.7270/Q24X562F
More data for this
Ligand-Target Pair