Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for assayid = 2 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))	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))	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))	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))	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))	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