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BDBM50043778 CHEMBL3356048

SMILES: Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)c(F)cc2F)cc1

InChI Key: InChIKey=KVTVEIFPLGJOJG-UHFFFAOYSA-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 = 50043778   
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
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043778
PNG
(CHEMBL3356048)
Show SMILES Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)c(F)cc2F)cc1
Show InChI InChI=1S/C17H11ClF2N6O2S/c18-10-5-14(12(20)6-11(10)19)29(27,28)26-9-3-1-8(2-4-9)13-7-22-15-16(21)24-25-17(15)23-13/h1-7,26H,(H3,21,23,24,25)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043778
PNG
(CHEMBL3356048)
Show SMILES Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)c(F)cc2F)cc1
Show InChI InChI=1S/C17H11ClF2N6O2S/c18-10-5-14(12(20)6-11(10)19)29(27,28)26-9-3-1-8(2-4-9)13-7-22-15-16(21)24-25-17(15)23-13/h1-7,26H,(H3,21,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 41n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair