Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50043615   

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))	BDBM50443628 (CHEMBL3092468 | US9174993, 35 | US9221828, 35) Show SMILES Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 Show InChI InChI=1S/C17H12ClFN6O2S/c18-10-3-6-12(19)14(7-10)28(26,27)25-11-4-1-9(2-5-11)13-8-21-15-16(20)23-24-17(15)22-13/h1-8,25H,(H3,20,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human SGK-1 expressed in baculovirus expression system using (5(6)-carboxyfluorescein)-RPRAATF-NH2 as substrate preincubate...				ACS Med Chem Lett 4: 1022-4 (2013) Article DOI: 10.1021/ml400389a BindingDB Entry DOI: 10.7270/Q2XS5WVS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM50443630 (CHEMBL3092466 | US9174993, 15 | US9221828, 15) Show SMILES Cc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(C)ccc2F)cc1 Show InChI InChI=1S/C19H16FN5O2S/c1-11-3-8-15(20)17(9-11)28(26,27)25-14-6-4-13(5-7-14)16-10-21-18-12(2)23-24-19(18)22-16/h3-10,25H,1-2H3,(H,22,23,24)	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
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human SGK-1 expressed in baculovirus expression system using (5(6)-carboxyfluorescein)-RPRAATF-NH2 as substrate preincubate...				ACS Med Chem Lett 4: 1022-4 (2013) Article DOI: 10.1021/ml400389a BindingDB Entry DOI: 10.7270/Q2XS5WVS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM50443634 (CHEMBL3092462 | US9174993, 6 | US9221828, 6) Show SMILES Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)c(F)c1 Show InChI InChI=1S/C17H11ClF2N6O2S/c18-9-2-3-10(19)14(6-9)29(27,28)26-12-4-1-8(5-11(12)20)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/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human SGK-1 expressed in baculovirus expression system using (5(6)-carboxyfluorescein)-RPRAATF-NH2 as substrate preincubate...				ACS Med Chem Lett 4: 1022-4 (2013) Article DOI: 10.1021/ml400389a BindingDB Entry DOI: 10.7270/Q2XS5WVS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM50443633 (CHEMBL3092463 | US9174993, 7 | US9221828, 7) Show SMILES Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(F)c1 Show InChI InChI=1S/C17H11Cl2FN6O2S/c18-9-2-3-10(19)14(6-9)29(27,28)26-12-4-1-8(5-11(12)20)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/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human SGK-1 expressed in baculovirus expression system using (5(6)-carboxyfluorescein)-RPRAATF-NH2 as substrate preincubate...				ACS Med Chem Lett 4: 1022-4 (2013) Article DOI: 10.1021/ml400389a BindingDB Entry DOI: 10.7270/Q2XS5WVS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM50443629 (CHEMBL3092467 | US9174993, 16 | US9221828, 16) Show SMILES COc1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1cnc2c(C)n[nH]c2n1 Show InChI InChI=1S/C19H16ClN5O3S/c1-11-18-19(24-23-11)22-16(10-21-18)12-3-5-13(6-4-12)25-29(26,27)17-9-14(28-2)7-8-15(17)20/h3-10,25H,1-2H3,(H,22,23,24)	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
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human SGK-1 expressed in baculovirus expression system using (5(6)-carboxyfluorescein)-RPRAATF-NH2 as substrate preincubate...				ACS Med Chem Lett 4: 1022-4 (2013) Article DOI: 10.1021/ml400389a BindingDB Entry DOI: 10.7270/Q2XS5WVS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM50443631 (CHEMBL3092465 | US9174993, 14 | US9221828, 14) Show SMILES Cc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(C)ccc2C#N)cc1 Show InChI InChI=1S/C20H16N6O2S/c1-12-3-4-15(10-21)18(9-12)29(27,28)26-16-7-5-14(6-8-16)17-11-22-19-13(2)24-25-20(19)23-17/h3-9,11,26H,1-2H3,(H,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	3	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human SGK-1 expressed in baculovirus expression system using (5(6)-carboxyfluorescein)-RPRAATF-NH2 as substrate preincubate...				ACS Med Chem Lett 4: 1022-4 (2013) Article DOI: 10.1021/ml400389a BindingDB Entry DOI: 10.7270/Q2XS5WVS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM50443636 (CHEMBL3092460 | US9174993, 1 | US9221828, 1) Show SMILES Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1 Show InChI InChI=1S/C17H12Cl2N6O2S/c18-11-2-1-3-13(14(11)19)28(26,27)25-10-6-4-9(5-7-10)12-8-21-15-16(20)23-24-17(15)22-12/h1-8,25H,(H3,20,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human SGK-1 expressed in baculovirus expression system using (5(6)-carboxyfluorescein)-RPRAATF-NH2 as substrate preincubate...				ACS Med Chem Lett 4: 1022-4 (2013) Article DOI: 10.1021/ml400389a BindingDB Entry DOI: 10.7270/Q2XS5WVS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM50443632 (CHEMBL3092464 | US9174993, 12 | US9221828, 12) Show SMILES Cc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 Show InChI InChI=1S/C18H13ClFN5O2S/c1-10-17-18(24-23-10)22-15(9-21-17)11-2-5-13(6-3-11)25-28(26,27)16-8-12(19)4-7-14(16)20/h2-9,25H,1H3,(H,22,23,24)	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human SGK-1 expressed in baculovirus expression system using (5(6)-carboxyfluorescein)-RPRAATF-NH2 as substrate preincubate...				ACS Med Chem Lett 4: 1022-4 (2013) Article DOI: 10.1021/ml400389a BindingDB Entry DOI: 10.7270/Q2XS5WVS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM50443635 (CHEMBL3092461 | US9174993, 5 | US9221828, 5) Show SMILES Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 Show InChI InChI=1S/C17H12Cl2N6O2S/c18-10-3-6-12(19)14(7-10)28(26,27)25-11-4-1-9(2-5-11)13-8-21-15-16(20)23-24-17(15)22-13/h1-8,25H,(H3,20,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human SGK-1 expressed in baculovirus expression system using (5(6)-carboxyfluorescein)-RPRAATF-NH2 as substrate preincubate...				ACS Med Chem Lett 4: 1022-4 (2013) Article DOI: 10.1021/ml400389a BindingDB Entry DOI: 10.7270/Q2XS5WVS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM50443635 (CHEMBL3092461 | US9174993, 5 | US9221828, 5) Show SMILES Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 Show InChI InChI=1S/C17H12Cl2N6O2S/c18-10-3-6-12(19)14(7-10)28(26,27)25-11-4-1-9(2-5-11)13-8-21-15-16(20)23-24-17(15)22-13/h1-8,25H,(H3,20,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human SGK1 (S61 to L431, S422D) expressed in human U20S cells assessed as inhibition of GSK3beta phosphorylation after 6 hr...				ACS Med Chem Lett 4: 1022-4 (2013) Article DOI: 10.1021/ml400389a BindingDB Entry DOI: 10.7270/Q2XS5WVS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM50443628 (CHEMBL3092468 | US9174993, 35 | US9221828, 35) Show SMILES Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 Show InChI InChI=1S/C17H12ClFN6O2S/c18-10-3-6-12(19)14(7-10)28(26,27)25-11-4-1-9(2-5-11)13-8-21-15-16(20)23-24-17(15)22-13/h1-8,25H,(H3,20,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human SGK1 (S61 to L431, S422D) expressed in human U20S cells assessed as inhibition of GSK3beta phosphorylation after 6 hr...				ACS Med Chem Lett 4: 1022-4 (2013) Article DOI: 10.1021/ml400389a BindingDB Entry DOI: 10.7270/Q2XS5WVS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM50443636 (CHEMBL3092460 | US9174993, 1 | US9221828, 1) Show SMILES Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1 Show InChI InChI=1S/C17H12Cl2N6O2S/c18-11-2-1-3-13(14(11)19)28(26,27)25-10-6-4-9(5-7-10)12-8-21-15-16(20)23-24-17(15)22-12/h1-8,25H,(H3,20,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human SGK1 (S61 to L431, S422D) expressed in human U20S cells assessed as inhibition of GSK3beta phosphorylation after 6 hr...				ACS Med Chem Lett 4: 1022-4 (2013) Article DOI: 10.1021/ml400389a BindingDB Entry DOI: 10.7270/Q2XS5WVS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM50443632 (CHEMBL3092464 | US9174993, 12 | US9221828, 12) Show SMILES Cc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 Show InChI InChI=1S/C18H13ClFN5O2S/c1-10-17-18(24-23-10)22-15(9-21-17)11-2-5-13(6-3-11)25-28(26,27)16-8-12(19)4-7-14(16)20/h2-9,25H,1H3,(H,22,23,24)	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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human SGK1 (S61 to L431, S422D) expressed in human U20S cells assessed as inhibition of GSK3beta phosphorylation after 6 hr...				ACS Med Chem Lett 4: 1022-4 (2013) Article DOI: 10.1021/ml400389a BindingDB Entry DOI: 10.7270/Q2XS5WVS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM50443629 (CHEMBL3092467 | US9174993, 16 | US9221828, 16) Show SMILES COc1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1cnc2c(C)n[nH]c2n1 Show InChI InChI=1S/C19H16ClN5O3S/c1-11-18-19(24-23-11)22-16(10-21-18)12-3-5-13(6-4-12)25-29(26,27)17-9-14(28-2)7-8-15(17)20/h3-10,25H,1-2H3,(H,22,23,24)	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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human SGK1 (S61 to L431, S422D) expressed in human U20S cells assessed as inhibition of GSK3beta phosphorylation after 6 hr...				ACS Med Chem Lett 4: 1022-4 (2013) Article DOI: 10.1021/ml400389a BindingDB Entry DOI: 10.7270/Q2XS5WVS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM50443634 (CHEMBL3092462 | US9174993, 6 | US9221828, 6) Show SMILES Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)c(F)c1 Show InChI InChI=1S/C17H11ClF2N6O2S/c18-9-2-3-10(19)14(6-9)29(27,28)26-12-4-1-8(5-11(12)20)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/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human SGK1 (S61 to L431, S422D) expressed in human U20S cells assessed as inhibition of GSK3beta phosphorylation after 6 hr...				ACS Med Chem Lett 4: 1022-4 (2013) Article DOI: 10.1021/ml400389a BindingDB Entry DOI: 10.7270/Q2XS5WVS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM50443630 (CHEMBL3092466 | US9174993, 15 | US9221828, 15) Show SMILES Cc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(C)ccc2F)cc1 Show InChI InChI=1S/C19H16FN5O2S/c1-11-3-8-15(20)17(9-11)28(26,27)25-14-6-4-13(5-7-14)16-10-21-18-12(2)23-24-19(18)22-16/h3-10,25H,1-2H3,(H,22,23,24)	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	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human SGK1 (S61 to L431, S422D) expressed in human U20S cells assessed as inhibition of GSK3beta phosphorylation after 6 hr...				ACS Med Chem Lett 4: 1022-4 (2013) Article DOI: 10.1021/ml400389a BindingDB Entry DOI: 10.7270/Q2XS5WVS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM50443633 (CHEMBL3092463 | US9174993, 7 | US9221828, 7) Show SMILES Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(F)c1 Show InChI InChI=1S/C17H11Cl2FN6O2S/c18-9-2-3-10(19)14(6-9)29(27,28)26-12-4-1-8(5-11(12)20)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/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human SGK1 (S61 to L431, S422D) expressed in human U20S cells assessed as inhibition of GSK3beta phosphorylation after 6 hr...				ACS Med Chem Lett 4: 1022-4 (2013) Article DOI: 10.1021/ml400389a BindingDB Entry DOI: 10.7270/Q2XS5WVS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM50443631 (CHEMBL3092465 | US9174993, 14 | US9221828, 14) Show SMILES Cc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(C)ccc2C#N)cc1 Show InChI InChI=1S/C20H16N6O2S/c1-12-3-4-15(10-21)18(9-12)29(27,28)26-16-7-5-14(6-8-16)17-11-22-19-13(2)24-25-20(19)23-17/h3-9,11,26H,1-2H3,(H,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	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human SGK1 (S61 to L431, S422D) expressed in human U20S cells assessed as inhibition of GSK3beta phosphorylation after 6 hr...				ACS Med Chem Lett 4: 1022-4 (2013) Article DOI: 10.1021/ml400389a BindingDB Entry DOI: 10.7270/Q2XS5WVS
					More data for this Ligand-Target Pair