BDBM50340663 5,7-difluoro-2,2-dimethyl-6-(3-methyl-1H-indol-7-yl)-2,3-dihydroquinolin-4(1H)-one O-isopropyl oxime::CHEMBL1762204

SMILES: CC(C)O\N=C1/CC(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12

InChI Key: InChIKey=NLDACKJWSTTYSC-MTDXEUNCSA-N

Data: 4 KI  2 IC50  2 EC50

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 8 hits for monomerid = 50340663   

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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50340663 (5,7-difluoro-2,2-dimethyl-6-(3-methyl-1H-indol-7-y...) Show SMILES CC(C)O\N=C1/CC(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(2.4,-30.12,;1.06,-30.88,;-.26,-30.1,;1.05,-32.41,;-.28,-33.17,;-.29,-34.71,;1.04,-35.49,;1.03,-37.04,;2.35,-36.26,;2.35,-37.8,;-.32,-37.79,;-1.64,-37.01,;-2.97,-37.77,;-4.29,-37,;-5.62,-37.76,;-4.28,-35.46,;-2.96,-34.69,;-2.95,-33.16,;-1.63,-35.47,;-5.61,-34.69,;-5.61,-33.14,;-6.94,-32.37,;-8.27,-33.14,;-8.28,-34.68,;-9.43,-35.71,;-10.77,-34.94,;-8.8,-37.13,;-7.27,-36.96,;-6.94,-35.45,)| Show InChI InChI=1S/C23H25F2N3O/c1-12(2)29-28-18-10-23(4,5)27-17-9-16(24)19(21(25)20(17)18)15-8-6-7-14-13(3)11-26-22(14)15/h6-9,11-12,26-27H,10H2,1-5H3/b28-18+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor expressed in baculovirus				Bioorg Med Chem Lett 21: 1654-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.104 BindingDB Entry DOI: 10.7270/Q21V5F8D
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50340663 (5,7-difluoro-2,2-dimethyl-6-(3-methyl-1H-indol-7-y...) Show SMILES CC(C)O\N=C1/CC(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(2.4,-30.12,;1.06,-30.88,;-.26,-30.1,;1.05,-32.41,;-.28,-33.17,;-.29,-34.71,;1.04,-35.49,;1.03,-37.04,;2.35,-36.26,;2.35,-37.8,;-.32,-37.79,;-1.64,-37.01,;-2.97,-37.77,;-4.29,-37,;-5.62,-37.76,;-4.28,-35.46,;-2.96,-34.69,;-2.95,-33.16,;-1.63,-35.47,;-5.61,-34.69,;-5.61,-33.14,;-6.94,-32.37,;-8.27,-33.14,;-8.28,-34.68,;-9.43,-35.71,;-10.77,-34.94,;-8.8,-37.13,;-7.27,-36.96,;-6.94,-35.45,)| Show InChI InChI=1S/C23H25F2N3O/c1-12(2)29-28-18-10-23(4,5)27-17-9-16(24)19(21(25)20(17)18)15-8-6-7-14-13(3)11-26-22(14)15/h6-9,11-12,26-27H,10H2,1-5H3/b28-18+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to progesterone receptor				Bioorg Med Chem Lett 21: 1654-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.104 BindingDB Entry DOI: 10.7270/Q21V5F8D
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50340663 (5,7-difluoro-2,2-dimethyl-6-(3-methyl-1H-indol-7-y...) Show SMILES CC(C)O\N=C1/CC(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(2.4,-30.12,;1.06,-30.88,;-.26,-30.1,;1.05,-32.41,;-.28,-33.17,;-.29,-34.71,;1.04,-35.49,;1.03,-37.04,;2.35,-36.26,;2.35,-37.8,;-.32,-37.79,;-1.64,-37.01,;-2.97,-37.77,;-4.29,-37,;-5.62,-37.76,;-4.28,-35.46,;-2.96,-34.69,;-2.95,-33.16,;-1.63,-35.47,;-5.61,-34.69,;-5.61,-33.14,;-6.94,-32.37,;-8.27,-33.14,;-8.28,-34.68,;-9.43,-35.71,;-10.77,-34.94,;-8.8,-37.13,;-7.27,-36.96,;-6.94,-35.45,)| Show InChI InChI=1S/C23H25F2N3O/c1-12(2)29-28-18-10-23(4,5)27-17-9-16(24)19(21(25)20(17)18)15-8-6-7-14-13(3)11-26-22(14)15/h6-9,11-12,26-27H,10H2,1-5H3/b28-18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to androgen receptor				Bioorg Med Chem Lett 21: 1654-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.104 BindingDB Entry DOI: 10.7270/Q21V5F8D
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50340663 (5,7-difluoro-2,2-dimethyl-6-(3-methyl-1H-indol-7-y...) Show SMILES CC(C)O\N=C1/CC(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(2.4,-30.12,;1.06,-30.88,;-.26,-30.1,;1.05,-32.41,;-.28,-33.17,;-.29,-34.71,;1.04,-35.49,;1.03,-37.04,;2.35,-36.26,;2.35,-37.8,;-.32,-37.79,;-1.64,-37.01,;-2.97,-37.77,;-4.29,-37,;-5.62,-37.76,;-4.28,-35.46,;-2.96,-34.69,;-2.95,-33.16,;-1.63,-35.47,;-5.61,-34.69,;-5.61,-33.14,;-6.94,-32.37,;-8.27,-33.14,;-8.28,-34.68,;-9.43,-35.71,;-10.77,-34.94,;-8.8,-37.13,;-7.27,-36.96,;-6.94,-35.45,)| Show InChI InChI=1S/C23H25F2N3O/c1-12(2)29-28-18-10-23(4,5)27-17-9-16(24)19(21(25)20(17)18)15-8-6-7-14-13(3)11-26-22(14)15/h6-9,11-12,26-27H,10H2,1-5H3/b28-18+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to mineralocorticoid receptor				Bioorg Med Chem Lett 21: 1654-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.104 BindingDB Entry DOI: 10.7270/Q21V5F8D
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50340663 (5,7-difluoro-2,2-dimethyl-6-(3-methyl-1H-indol-7-y...) Show SMILES CC(C)O\N=C1/CC(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(2.4,-30.12,;1.06,-30.88,;-.26,-30.1,;1.05,-32.41,;-.28,-33.17,;-.29,-34.71,;1.04,-35.49,;1.03,-37.04,;2.35,-36.26,;2.35,-37.8,;-.32,-37.79,;-1.64,-37.01,;-2.97,-37.77,;-4.29,-37,;-5.62,-37.76,;-4.28,-35.46,;-2.96,-34.69,;-2.95,-33.16,;-1.63,-35.47,;-5.61,-34.69,;-5.61,-33.14,;-6.94,-32.37,;-8.27,-33.14,;-8.28,-34.68,;-9.43,-35.71,;-10.77,-34.94,;-8.8,-37.13,;-7.27,-36.96,;-6.94,-35.45,)| Show InChI InChI=1S/C23H25F2N3O/c1-12(2)29-28-18-10-23(4,5)27-17-9-16(24)19(21(25)20(17)18)15-8-6-7-14-13(3)11-26-22(14)15/h6-9,11-12,26-27H,10H2,1-5H3/b28-18+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human HepG2 cells co-transfected with PEPCK assessed as GRE activation by luciferase reporter gene ass...				Bioorg Med Chem Lett 21: 1654-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.104 BindingDB Entry DOI: 10.7270/Q21V5F8D
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50340663 (5,7-difluoro-2,2-dimethyl-6-(3-methyl-1H-indol-7-y...) Show SMILES CC(C)O\N=C1/CC(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(2.4,-30.12,;1.06,-30.88,;-.26,-30.1,;1.05,-32.41,;-.28,-33.17,;-.29,-34.71,;1.04,-35.49,;1.03,-37.04,;2.35,-36.26,;2.35,-37.8,;-.32,-37.79,;-1.64,-37.01,;-2.97,-37.77,;-4.29,-37,;-5.62,-37.76,;-4.28,-35.46,;-2.96,-34.69,;-2.95,-33.16,;-1.63,-35.47,;-5.61,-34.69,;-5.61,-33.14,;-6.94,-32.37,;-8.27,-33.14,;-8.28,-34.68,;-9.43,-35.71,;-10.77,-34.94,;-8.8,-37.13,;-7.27,-36.96,;-6.94,-35.45,)| Show InChI InChI=1S/C23H25F2N3O/c1-12(2)29-28-18-10-23(4,5)27-17-9-16(24)19(21(25)20(17)18)15-8-6-7-14-13(3)11-26-22(14)15/h6-9,11-12,26-27H,10H2,1-5H3/b28-18+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in human NHDF cells assessed as inhibition of IL-1beta-stimulated AP1 dependent IL-6 repression b...				Bioorg Med Chem Lett 21: 1654-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.104 BindingDB Entry DOI: 10.7270/Q21V5F8D
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50340663 (5,7-difluoro-2,2-dimethyl-6-(3-methyl-1H-indol-7-y...) Show SMILES CC(C)O\N=C1/CC(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(2.4,-30.12,;1.06,-30.88,;-.26,-30.1,;1.05,-32.41,;-.28,-33.17,;-.29,-34.71,;1.04,-35.49,;1.03,-37.04,;2.35,-36.26,;2.35,-37.8,;-.32,-37.79,;-1.64,-37.01,;-2.97,-37.77,;-4.29,-37,;-5.62,-37.76,;-4.28,-35.46,;-2.96,-34.69,;-2.95,-33.16,;-1.63,-35.47,;-5.61,-34.69,;-5.61,-33.14,;-6.94,-32.37,;-8.27,-33.14,;-8.28,-34.68,;-9.43,-35.71,;-10.77,-34.94,;-8.8,-37.13,;-7.27,-36.96,;-6.94,-35.45,)| Show InChI InChI=1S/C23H25F2N3O/c1-12(2)29-28-18-10-23(4,5)27-17-9-16(24)19(21(25)20(17)18)15-8-6-7-14-13(3)11-26-22(14)15/h6-9,11-12,26-27H,10H2,1-5H3/b28-18+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of TNFalpha/IL1beta-stimulated NFkappaB-dependent E-s...				Bioorg Med Chem Lett 21: 1654-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.104 BindingDB Entry DOI: 10.7270/Q21V5F8D
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50340663 (5,7-difluoro-2,2-dimethyl-6-(3-methyl-1H-indol-7-y...) Show SMILES CC(C)O\N=C1/CC(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(2.4,-30.12,;1.06,-30.88,;-.26,-30.1,;1.05,-32.41,;-.28,-33.17,;-.29,-34.71,;1.04,-35.49,;1.03,-37.04,;2.35,-36.26,;2.35,-37.8,;-.32,-37.79,;-1.64,-37.01,;-2.97,-37.77,;-4.29,-37,;-5.62,-37.76,;-4.28,-35.46,;-2.96,-34.69,;-2.95,-33.16,;-1.63,-35.47,;-5.61,-34.69,;-5.61,-33.14,;-6.94,-32.37,;-8.27,-33.14,;-8.28,-34.68,;-9.43,-35.71,;-10.77,-34.94,;-8.8,-37.13,;-7.27,-36.96,;-6.94,-35.45,)| Show InChI InChI=1S/C23H25F2N3O/c1-12(2)29-28-18-10-23(4,5)27-17-9-16(24)19(21(25)20(17)18)15-8-6-7-14-13(3)11-26-22(14)15/h6-9,11-12,26-27H,10H2,1-5H3/b28-18+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human HepG2 cells co-transfected with GRE assessed as GRE activation by luciferase reporter gene assay				Bioorg Med Chem Lett 21: 1654-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.104 BindingDB Entry DOI: 10.7270/Q21V5F8D
					More data for this Ligand-Target Pair