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SMILES: N[C@H](CNc1ncc(s1)-c1ccc2NC(=O)CCc2c1)Cc1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=JDMVDVWEHDEPEM-KRWDZBQOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50312937   
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
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312937
PNG
((S)-6-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2NC(=O)CCc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H21F3N4OS/c23-22(24,25)16-5-1-13(2-6-16)9-17(26)11-27-21-28-12-19(31-21)15-3-7-18-14(10-15)4-8-20(30)29-18/h1-3,5-7,10,12,17H,4,8-9,11,26H2,(H,27,28)(H,29,30)/t17-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a>2.50E+4n/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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312937
PNG
((S)-6-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2NC(=O)CCc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H21F3N4OS/c23-22(24,25)16-5-1-13(2-6-16)9-17(26)11-27-21-28-12-19(31-21)15-3-7-18-14(10-15)4-8-20(30)29-18/h1-3,5-7,10,12,17H,4,8-9,11,26H2,(H,27,28)(H,29,30)/t17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.32E+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