BDBM50340661 CHEMBL1760023::rac-5,7-difluoro-3-hydroxy-2,2-dimethyl-6-(3-methyl-1H-indol-7-yl)-2,3-dihydroquinolin-4(1H)-one O-methyl oxime

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

InChI Key: InChIKey=IDOKWANEHDNOLY-XHPQRKPJSA-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 = 50340661   

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))	BDBM50340661 (CHEMBL1760023 | rac-5,7-difluoro-3-hydroxy-2,2-dim...) Show SMILES CO\N=C1/C(O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(1.85,6.27,;1.84,4.74,;.5,3.98,;.49,2.44,;1.82,1.66,;3.16,2.41,;1.81,.12,;3.13,.9,;3.13,-.65,;.47,-.64,;-.85,.14,;-2.18,-.62,;-3.5,.15,;-4.84,-.61,;-3.5,1.69,;-2.17,2.46,;-2.17,3.99,;-.84,1.68,;-4.82,2.47,;-4.82,4.01,;-6.16,4.79,;-7.49,4.01,;-7.5,2.47,;-8.64,1.44,;-9.98,2.21,;-8.02,.03,;-6.48,.19,;-6.16,1.7,)| Show InChI InChI=1S/C21H21F2N3O2/c1-10-9-24-18-11(10)6-5-7-12(18)15-13(22)8-14-16(17(15)23)19(26-28-4)20(27)21(2,3)25-14/h5-9,20,24-25,27H,1-4H3/b26-19-	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	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
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50340661 (CHEMBL1760023 | rac-5,7-difluoro-3-hydroxy-2,2-dim...) Show SMILES CO\N=C1/C(O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(1.85,6.27,;1.84,4.74,;.5,3.98,;.49,2.44,;1.82,1.66,;3.16,2.41,;1.81,.12,;3.13,.9,;3.13,-.65,;.47,-.64,;-.85,.14,;-2.18,-.62,;-3.5,.15,;-4.84,-.61,;-3.5,1.69,;-2.17,2.46,;-2.17,3.99,;-.84,1.68,;-4.82,2.47,;-4.82,4.01,;-6.16,4.79,;-7.49,4.01,;-7.5,2.47,;-8.64,1.44,;-9.98,2.21,;-8.02,.03,;-6.48,.19,;-6.16,1.7,)| Show InChI InChI=1S/C21H21F2N3O2/c1-10-9-24-18-11(10)6-5-7-12(18)15-13(22)8-14-16(17(15)23)19(26-28-4)20(27)21(2,3)25-14/h5-9,20,24-25,27H,1-4H3/b26-19-	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+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
Androgen Receptor (Homo sapiens (Human))	BDBM50340661 (CHEMBL1760023 | rac-5,7-difluoro-3-hydroxy-2,2-dim...) Show SMILES CO\N=C1/C(O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(1.85,6.27,;1.84,4.74,;.5,3.98,;.49,2.44,;1.82,1.66,;3.16,2.41,;1.81,.12,;3.13,.9,;3.13,-.65,;.47,-.64,;-.85,.14,;-2.18,-.62,;-3.5,.15,;-4.84,-.61,;-3.5,1.69,;-2.17,2.46,;-2.17,3.99,;-.84,1.68,;-4.82,2.47,;-4.82,4.01,;-6.16,4.79,;-7.49,4.01,;-7.5,2.47,;-8.64,1.44,;-9.98,2.21,;-8.02,.03,;-6.48,.19,;-6.16,1.7,)| Show InChI InChI=1S/C21H21F2N3O2/c1-10-9-24-18-11(10)6-5-7-12(18)15-13(22)8-14-16(17(15)23)19(26-28-4)20(27)21(2,3)25-14/h5-9,20,24-25,27H,1-4H3/b26-19-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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 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
Progesterone receptor (Homo sapiens (Human))	BDBM50340661 (CHEMBL1760023 | rac-5,7-difluoro-3-hydroxy-2,2-dim...) Show SMILES CO\N=C1/C(O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(1.85,6.27,;1.84,4.74,;.5,3.98,;.49,2.44,;1.82,1.66,;3.16,2.41,;1.81,.12,;3.13,.9,;3.13,-.65,;.47,-.64,;-.85,.14,;-2.18,-.62,;-3.5,.15,;-4.84,-.61,;-3.5,1.69,;-2.17,2.46,;-2.17,3.99,;-.84,1.68,;-4.82,2.47,;-4.82,4.01,;-6.16,4.79,;-7.49,4.01,;-7.5,2.47,;-8.64,1.44,;-9.98,2.21,;-8.02,.03,;-6.48,.19,;-6.16,1.7,)| Show InChI InChI=1S/C21H21F2N3O2/c1-10-9-24-18-11(10)6-5-7-12(18)15-13(22)8-14-16(17(15)23)19(26-28-4)20(27)21(2,3)25-14/h5-9,20,24-25,27H,1-4H3/b26-19-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80E+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 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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50340661 (CHEMBL1760023 | rac-5,7-difluoro-3-hydroxy-2,2-dim...) Show SMILES CO\N=C1/C(O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(1.85,6.27,;1.84,4.74,;.5,3.98,;.49,2.44,;1.82,1.66,;3.16,2.41,;1.81,.12,;3.13,.9,;3.13,-.65,;.47,-.64,;-.85,.14,;-2.18,-.62,;-3.5,.15,;-4.84,-.61,;-3.5,1.69,;-2.17,2.46,;-2.17,3.99,;-.84,1.68,;-4.82,2.47,;-4.82,4.01,;-6.16,4.79,;-7.49,4.01,;-7.5,2.47,;-8.64,1.44,;-9.98,2.21,;-8.02,.03,;-6.48,.19,;-6.16,1.7,)| Show InChI InChI=1S/C21H21F2N3O2/c1-10-9-24-18-11(10)6-5-7-12(18)15-13(22)8-14-16(17(15)23)19(26-28-4)20(27)21(2,3)25-14/h5-9,20,24-25,27H,1-4H3/b26-19-	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	17	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))	BDBM50340661 (CHEMBL1760023 | rac-5,7-difluoro-3-hydroxy-2,2-dim...) Show SMILES CO\N=C1/C(O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(1.85,6.27,;1.84,4.74,;.5,3.98,;.49,2.44,;1.82,1.66,;3.16,2.41,;1.81,.12,;3.13,.9,;3.13,-.65,;.47,-.64,;-.85,.14,;-2.18,-.62,;-3.5,.15,;-4.84,-.61,;-3.5,1.69,;-2.17,2.46,;-2.17,3.99,;-.84,1.68,;-4.82,2.47,;-4.82,4.01,;-6.16,4.79,;-7.49,4.01,;-7.5,2.47,;-8.64,1.44,;-9.98,2.21,;-8.02,.03,;-6.48,.19,;-6.16,1.7,)| Show InChI InChI=1S/C21H21F2N3O2/c1-10-9-24-18-11(10)6-5-7-12(18)15-13(22)8-14-16(17(15)23)19(26-28-4)20(27)21(2,3)25-14/h5-9,20,24-25,27H,1-4H3/b26-19-	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	3.40	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))	BDBM50340661 (CHEMBL1760023 | rac-5,7-difluoro-3-hydroxy-2,2-dim...) Show SMILES CO\N=C1/C(O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(1.85,6.27,;1.84,4.74,;.5,3.98,;.49,2.44,;1.82,1.66,;3.16,2.41,;1.81,.12,;3.13,.9,;3.13,-.65,;.47,-.64,;-.85,.14,;-2.18,-.62,;-3.5,.15,;-4.84,-.61,;-3.5,1.69,;-2.17,2.46,;-2.17,3.99,;-.84,1.68,;-4.82,2.47,;-4.82,4.01,;-6.16,4.79,;-7.49,4.01,;-7.5,2.47,;-8.64,1.44,;-9.98,2.21,;-8.02,.03,;-6.48,.19,;-6.16,1.7,)| Show InChI InChI=1S/C21H21F2N3O2/c1-10-9-24-18-11(10)6-5-7-12(18)15-13(22)8-14-16(17(15)23)19(26-28-4)20(27)21(2,3)25-14/h5-9,20,24-25,27H,1-4H3/b26-19-	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	3.90	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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50340661 (CHEMBL1760023 | rac-5,7-difluoro-3-hydroxy-2,2-dim...) Show SMILES CO\N=C1/C(O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(1.85,6.27,;1.84,4.74,;.5,3.98,;.49,2.44,;1.82,1.66,;3.16,2.41,;1.81,.12,;3.13,.9,;3.13,-.65,;.47,-.64,;-.85,.14,;-2.18,-.62,;-3.5,.15,;-4.84,-.61,;-3.5,1.69,;-2.17,2.46,;-2.17,3.99,;-.84,1.68,;-4.82,2.47,;-4.82,4.01,;-6.16,4.79,;-7.49,4.01,;-7.5,2.47,;-8.64,1.44,;-9.98,2.21,;-8.02,.03,;-6.48,.19,;-6.16,1.7,)| Show InChI InChI=1S/C21H21F2N3O2/c1-10-9-24-18-11(10)6-5-7-12(18)15-13(22)8-14-16(17(15)23)19(26-28-4)20(27)21(2,3)25-14/h5-9,20,24-25,27H,1-4H3/b26-19-	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	560	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