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BDBM50043017 CHEMBL3355027

SMILES: OC1CCC(CC1)Oc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2C#N)cc1

InChI Key: InChIKey=FFVGXKOYLBDORF-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 = 50043017   
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))
BDBM50043017
PNG
(CHEMBL3355027)
Show SMILES OC1CCC(CC1)Oc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2C#N)cc1 |(68.02,-2.5,;66.48,-2.49,;65.7,-3.83,;64.16,-3.83,;63.39,-2.48,;64.16,-1.15,;65.7,-1.16,;61.85,-2.48,;61.08,-3.82,;59.54,-3.83,;58.77,-5.16,;59.54,-6.5,;61.08,-6.49,;62.1,-7.64,;63.51,-7.03,;63.36,-5.5,;61.86,-5.17,;57.23,-5.15,;56.46,-6.49,;54.91,-6.48,;54.15,-5.14,;52.61,-5.13,;51.84,-6.46,;53.17,-7.23,;51.83,-8,;50.29,-6.47,;49.52,-5.14,;47.98,-5.14,;47.2,-3.81,;47.22,-6.47,;47.99,-7.8,;49.53,-7.8,;50.3,-9.14,;51.07,-10.47,;54.92,-3.81,;56.46,-3.81,)|
Show InChI InChI=1S/C24H21ClN6O4S/c25-16-4-1-15(12-26)21(11-16)36(33,34)31-17-5-2-14(3-6-17)22-28-23-20(13-27-30-23)24(29-22)35-19-9-7-18(32)8-10-19/h1-6,11,13,18-19,31-32H,7-10H2,(H,27,28,29,30)
PDB
MMDB

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n/an/a<1.5n/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
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043017
PNG
(CHEMBL3355027)
Show SMILES OC1CCC(CC1)Oc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2C#N)cc1 |(68.02,-2.5,;66.48,-2.49,;65.7,-3.83,;64.16,-3.83,;63.39,-2.48,;64.16,-1.15,;65.7,-1.16,;61.85,-2.48,;61.08,-3.82,;59.54,-3.83,;58.77,-5.16,;59.54,-6.5,;61.08,-6.49,;62.1,-7.64,;63.51,-7.03,;63.36,-5.5,;61.86,-5.17,;57.23,-5.15,;56.46,-6.49,;54.91,-6.48,;54.15,-5.14,;52.61,-5.13,;51.84,-6.46,;53.17,-7.23,;51.83,-8,;50.29,-6.47,;49.52,-5.14,;47.98,-5.14,;47.2,-3.81,;47.22,-6.47,;47.99,-7.8,;49.53,-7.8,;50.3,-9.14,;51.07,-10.47,;54.92,-3.81,;56.46,-3.81,)|
Show InChI InChI=1S/C24H21ClN6O4S/c25-16-4-1-15(12-26)21(11-16)36(33,34)31-17-5-2-14(3-6-17)22-28-23-20(13-27-30-23)24(29-22)35-19-9-7-18(32)8-10-19/h1-6,11,13,18-19,31-32H,7-10H2,(H,27,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/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