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BDBM16587 (2S)-1-{[5-(3-methyl-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-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine::pyrazolopyridine-pyridine, 37c

SMILES: Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(c2)C(F)(F)F)c1

InChI Key: InChIKey=UMTWTCVTRDYHQQ-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 = 16587   
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))
BDBM16587
PNG
((2S)-1-{[5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-y...)
Show SMILES Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(c2)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C22H20F3N5O/c1-13-19-8-20(28-11-21(19)30-29-13)15-7-18(10-27-9-15)31-12-17(26)6-14-3-2-4-16(5-14)22(23,24)25/h2-5,7-11,17H,6,12,26H2,1H3,(H,29,30)/t17-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/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
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16587
PNG
((2S)-1-{[5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-y...)
Show SMILES Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(c2)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C22H20F3N5O/c1-13-19-8-20(28-11-21(19)30-29-13)15-7-18(10-27-9-15)31-12-17(26)6-14-3-2-4-16(5-14)22(23,24)25/h2-5,7-11,17H,6,12,26H2,1H3,(H,29,30)/t17-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.600n/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
More data for this
Ligand-Target Pair