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SMILES: N[C@H](CNc1ncc(s1)-c1ccc2C(=O)NCc2c1)Cc1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=UFEUMFPFVBUZRR-INIZCTEOSA-N

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50312940   
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


(Homo sapiens (Human))
BDBM50312940
PNG
((S)-5-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2C(=O)NCc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N4OS/c22-21(23,24)15-4-1-12(2-5-15)7-16(25)10-27-20-28-11-18(30-20)13-3-6-17-14(8-13)9-26-19(17)29/h1-6,8,11,16H,7,9-10,25H2,(H,26,29)(H,27,28)/t16-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 95n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 10 mins by [gamma33]ATP assay


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312940
PNG
((S)-5-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2C(=O)NCc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N4OS/c22-21(23,24)15-4-1-12(2-5-15)7-16(25)10-27-20-28-11-18(30-20)13-3-6-17-14(8-13)9-26-19(17)29/h1-6,8,11,16H,7,9-10,25H2,(H,26,29)(H,27,28)/t16-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312940
PNG
((S)-5-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2C(=O)NCc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N4OS/c22-21(23,24)15-4-1-12(2-5-15)7-16(25)10-27-20-28-11-18(30-20)13-3-6-17-14(8-13)9-26-19(17)29/h1-6,8,11,16H,7,9-10,25H2,(H,26,29)(H,27,28)/t16-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>9.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair