BindingDB logo
myBDB logout

null

SMILES: N[C@H](CNc1ncc(s1)-c1ccc2cn[nH]c2c1)Cc1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=SXMJEDMPDDTFKV-INIZCTEOSA-N

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 = 50312927   
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))
BDBM50312927
PNG
((S)-N1-(5-(1H-indazol-6-yl)thiazol-2-yl)-3-(4-(tri...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2cn[nH]c2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H18F3N5S/c21-20(22,23)15-5-1-12(2-6-15)7-16(24)10-25-19-26-11-18(29-19)13-3-4-14-9-27-28-17(14)8-13/h1-6,8-9,11,16H,7,10,24H2,(H,25,26)(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>1.00E+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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312927
PNG
((S)-N1-(5-(1H-indazol-6-yl)thiazol-2-yl)-3-(4-(tri...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2cn[nH]c2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H18F3N5S/c21-20(22,23)15-5-1-12(2-6-15)7-16(24)10-25-19-26-11-18(29-19)13-3-4-14-9-27-28-17(14)8-13/h1-6,8-9,11,16H,7,10,24H2,(H,25,26)(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 613n/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