BDBM50043016 CHEMBL3355026::US9718825, Example 3

SMILES: OC1CCC(CC1)Oc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1

InChI Key: InChIKey=IKBMUGXVSJZWGW-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50043016   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM50043016 (CHEMBL3355026 | US9718825, Example 3) Show SMILES OC1CCC(CC1)Oc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 |(44.14,-2.28,;42.6,-2.28,;41.82,-3.61,;40.29,-3.61,;39.52,-2.26,;40.28,-.93,;41.83,-.94,;37.97,-2.27,;37.2,-3.6,;35.66,-3.61,;34.89,-4.94,;35.66,-6.28,;37.2,-6.27,;38.22,-7.42,;39.63,-6.81,;39.48,-5.28,;37.98,-4.95,;33.36,-4.93,;32.58,-6.27,;31.04,-6.26,;30.28,-4.92,;28.73,-4.91,;27.96,-6.24,;29.29,-7.02,;27.96,-7.78,;26.42,-6.25,;25.65,-4.92,;24.1,-4.92,;23.33,-3.59,;23.34,-6.25,;24.11,-7.58,;25.65,-7.58,;26.42,-8.92,;31.04,-3.59,;32.58,-3.59,)| Show InChI InChI=1S/C23H21ClFN5O4S/c24-14-3-10-19(25)20(11-14)35(32,33)30-15-4-1-13(2-5-15)21-27-22-18(12-26-29-22)23(28-21)34-17-8-6-16(31)7-9-17/h1-5,10-12,16-17,30-31H,6-9H2,(H,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	<1.20	n/a	n/a	n/a	n/a	7.4	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 US9718825 (2017) BindingDB Entry DOI: 10.7270/Q2VM4F82
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM50043016 (CHEMBL3355026 | US9718825, Example 3) Show SMILES OC1CCC(CC1)Oc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 |(44.14,-2.28,;42.6,-2.28,;41.82,-3.61,;40.29,-3.61,;39.52,-2.26,;40.28,-.93,;41.83,-.94,;37.97,-2.27,;37.2,-3.6,;35.66,-3.61,;34.89,-4.94,;35.66,-6.28,;37.2,-6.27,;38.22,-7.42,;39.63,-6.81,;39.48,-5.28,;37.98,-4.95,;33.36,-4.93,;32.58,-6.27,;31.04,-6.26,;30.28,-4.92,;28.73,-4.91,;27.96,-6.24,;29.29,-7.02,;27.96,-7.78,;26.42,-6.25,;25.65,-4.92,;24.1,-4.92,;23.33,-3.59,;23.34,-6.25,;24.11,-7.58,;25.65,-7.58,;26.42,-8.92,;31.04,-3.59,;32.58,-3.59,)| Show InChI InChI=1S/C23H21ClFN5O4S/c24-14-3-10-19(25)20(11-14)35(32,33)30-15-4-1-13(2-5-15)21-27-22-18(12-26-29-22)23(28-21)34-17-8-6-16(31)7-9-17/h1-5,10-12,16-17,30-31H,6-9H2,(H,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/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
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM50043016 (CHEMBL3355026 | US9718825, Example 3) Show SMILES OC1CCC(CC1)Oc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 |(44.14,-2.28,;42.6,-2.28,;41.82,-3.61,;40.29,-3.61,;39.52,-2.26,;40.28,-.93,;41.83,-.94,;37.97,-2.27,;37.2,-3.6,;35.66,-3.61,;34.89,-4.94,;35.66,-6.28,;37.2,-6.27,;38.22,-7.42,;39.63,-6.81,;39.48,-5.28,;37.98,-4.95,;33.36,-4.93,;32.58,-6.27,;31.04,-6.26,;30.28,-4.92,;28.73,-4.91,;27.96,-6.24,;29.29,-7.02,;27.96,-7.78,;26.42,-6.25,;25.65,-4.92,;24.1,-4.92,;23.33,-3.59,;23.34,-6.25,;24.11,-7.58,;25.65,-7.58,;26.42,-8.92,;31.04,-3.59,;32.58,-3.59,)| Show InChI InChI=1S/C23H21ClFN5O4S/c24-14-3-10-19(25)20(11-14)35(32,33)30-15-4-1-13(2-5-15)21-27-22-18(12-26-29-22)23(28-21)34-17-8-6-16(31)7-9-17/h1-5,10-12,16-17,30-31H,6-9H2,(H,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<1.20	n/a	n/a	n/a	n/a	n/a	n/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