Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Sgk1' and Ligand = 'BDBM50043783'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM50043783 (CHEMBL3356053 | US9174993, 46 | US9221828, 46) Show SMILES COc1ccc(C#N)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1cnc2c(N)n[nH]c2n1 Show InChI InChI=1S/C19H15N7O3S/c1-29-14-7-4-12(9-20)16(8-14)30(27,28)26-13-5-2-11(3-6-13)15-10-22-17-18(21)24-25-19(17)23-15/h2-8,10,26H,1H3,(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	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...				US Patent US9174993 (2015) BindingDB Entry DOI: 10.7270/Q2MK6BPF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM50043783 (CHEMBL3356053 | US9174993, 46 | US9221828, 46) Show SMILES COc1ccc(C#N)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1cnc2c(N)n[nH]c2n1 Show InChI InChI=1S/C19H15N7O3S/c1-29-14-7-4-12(9-20)16(8-14)30(27,28)26-13-5-2-11(3-6-13)15-10-22-17-18(21)24-25-19(17)23-15/h2-8,10,26H,1H3,(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/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50043783 (CHEMBL3356053 | US9174993, 46 | US9221828, 46) Show SMILES COc1ccc(C#N)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1cnc2c(N)n[nH]c2n1 Show InChI InChI=1S/C19H15N7O3S/c1-29-14-7-4-12(9-20)16(8-14)30(27,28)26-13-5-2-11(3-6-13)15-10-22-17-18(21)24-25-19(17)23-15/h2-8,10,26H,1H3,(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	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	24
SANOFI US Patent					Assay Description The enzyme reaction was carried out in a buffer containing 25 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 2 mM MnCl2, 2 mM DTT, and 0.03% bovine serum albumi...				US Patent US9221828 (2015) BindingDB Entry DOI: 10.7270/Q2GX49DW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM50043783 (CHEMBL3356053 | US9174993, 46 | US9221828, 46) Show SMILES COc1ccc(C#N)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1cnc2c(N)n[nH]c2n1 Show InChI InChI=1S/C19H15N7O3S/c1-29-14-7-4-12(9-20)16(8-14)30(27,28)26-13-5-2-11(3-6-13)15-10-22-17-18(21)24-25-19(17)23-15/h2-8,10,26H,1H3,(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/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/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