Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase Sgk1
Ligand
BDBM50043019
Substrate
n/a
Meas. Tech.
ChEMBL_2158995 (CHEMBL5043745)
IC50
<1.000000±n/a nM
Citation
 Halland, N; Schmidt, F; Weiss, T; Li, Z; Czech, J; Saas, J; Ding-Pfennigdorff, D; Dreyer, MK; Strübing, C; Nazare, M Rational Design of Highly Potent, Selective, and Bioavailable SGK1 Protein Kinase Inhibitors for the Treatment of Osteoarthritis. J Med Chem 65:1567-1584 (2022) [PubMed]  Article 
Target
Name:
Serine/threonine-protein kinase Sgk1
Synonyms:
SGK | SGK1 | SGK1_HUMAN | Serine/threonine-protein kinase Sgk1 | Serine/threonine-protein kinase Sgk1 (SGK) | Serum/glucocorticoid regulated kinase | Serum/glucocorticoid-regulated kinase 1 (SGK1)
Type:
Other Protein Type
Mol. Mass.:
48954.40
Organism:
Homo sapiens (Human)
Description:
Recombinant human SGK-1 enzyme produced in a baculovirus system.
Residue:
431
Sequence:
MTVKTEAAKGTLTYSRMRGMVAILIAFMKQRRMGLNDFIQKIANNSYACKHPEVQSILKISQPQEPELMNANPSPPPSPSQQINLGPSSNPHAKPSDFHFLKVIGKGSFGKVLLARHKAEEVFYAVKVLQKKAILKKKEEKHIMSERNVLLKNVKHPFLVGLHFSFQTADKLYFVLDYINGGELFYHLQRERCFLEPRARFYAAEIASALGYLHSLNIVYRDLKPENILLDSQGHIVLTDFGLCKENIEHNSTTSTFCGTPEYLAPEVLHKQPYDRTVDWWCLGAVLYEMLYGLPPFYSRNTAEMYDNILNKPLQLKPNITNSARHLLEGLLQKDRTKRLGAKDDFMEIKSHVFFSLINWDDLINKKITPPFNPNVSGPNDLRHFDPEFTEEPVPNSIGKSPDSVLVTASVKEAAEAFLGFSYAPPTDSFL
  
Inhibitor
Name:
BDBM50043019
Synonyms:
CHEMBL3355029
Type:
Small organic molecule
Emp. Form.:
C23H21ClFN5O4S
Mol. Mass.:
517.96
SMILES:
O[C@H]1CC[C@@H](CC1)Oc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 |r,wU:4.7,wD:1.0,(43,-11.27,;41.45,-11.27,;40.68,-9.93,;39.13,-9.93,;38.37,-11.26,;39.14,-12.6,;40.68,-12.61,;36.83,-11.26,;36.06,-12.6,;34.52,-12.6,;33.75,-13.93,;34.52,-15.27,;36.05,-15.27,;37.07,-16.42,;38.48,-15.8,;38.34,-14.27,;36.83,-13.94,;32.21,-13.93,;31.43,-15.26,;29.89,-15.26,;29.13,-13.92,;27.59,-13.91,;26.81,-15.24,;28.15,-16.01,;26.81,-16.78,;25.27,-15.25,;24.5,-13.91,;22.96,-13.92,;22.18,-12.58,;22.2,-15.25,;22.96,-16.57,;24.5,-16.58,;25.27,-17.91,;29.9,-12.59,;31.44,-12.59,)|
Structure:
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