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BDBM50043026 CHEMBL3355036

SMILES: Nc1n[nH]c2nc(ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1

InChI Key: InChIKey=HANDMVMBRKPGGO-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 = 50043026   
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))
BDBM50043026
PNG
(CHEMBL3355036)
Show SMILES Nc1n[nH]c2nc(ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
Show InChI InChI=1S/C17H12ClFN6O2S/c18-10-3-6-13(19)14(7-10)28(26,27)25-11-4-1-9(2-5-11)16-21-8-12-15(20)23-24-17(12)22-16/h1-8,25H,(H3,20,21,22,23,24)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 390n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant SGK1 (unknown origin) expressed in U2OS cells by cellular activity assay


ACS Med Chem Lett 6: 19-20 (2015)


Article DOI: 10.1021/ml500480n
BindingDB Entry DOI: 10.7270/Q2PZ5BFB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043026
PNG
(CHEMBL3355036)
Show SMILES Nc1n[nH]c2nc(ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
Show InChI InChI=1S/C17H12ClFN6O2S/c18-10-3-6-13(19)14(7-10)28(26,27)25-11-4-1-9(2-5-11)16-21-8-12-15(20)23-24-17(12)22-16/h1-8,25H,(H3,20,21,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of SGK1 (unknown origin) assessed as substrate phosphorylation


ACS Med Chem Lett 6: 19-20 (2015)


Article DOI: 10.1021/ml500480n
BindingDB Entry DOI: 10.7270/Q2PZ5BFB
More data for this
Ligand-Target Pair