BDBM50235945 CHEMBL4068898

SMILES: Cc1c(cc(CCF)n1-c1ccc(F)cc1OC(F)F)C(=O)Nc1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=ABBOJTGMRPEPDS-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 = 50235945   

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
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50235945 (CHEMBL4068898) Show SMILES Cc1c(cc(CCF)n1-c1ccc(F)cc1OC(F)F)C(=O)Nc1ccc(cc1)S(C)(=O)=O |(49.68,-18.43,;49.68,-19.97,;48.44,-20.87,;48.91,-22.34,;50.45,-22.34,;51.35,-23.59,;50.72,-24.99,;51.63,-26.24,;50.93,-20.87,;52.39,-20.4,;53.53,-21.43,;54.99,-20.96,;55.32,-19.45,;56.78,-18.98,;54.16,-18.42,;52.7,-18.9,;51.56,-17.87,;51.87,-16.36,;50.72,-15.34,;53.33,-15.88,;46.97,-20.4,;46.65,-18.89,;45.83,-21.43,;44.36,-20.95,;44.05,-19.45,;42.59,-18.97,;41.44,-20,;41.77,-21.51,;43.23,-21.98,;39.97,-19.52,;38.83,-20.56,;39.19,-18.18,;40.74,-18.18,)| Show InChI InChI=1S/C22H20F4N2O4S/c1-13-18(21(29)27-15-4-6-17(7-5-15)33(2,30)31)12-16(9-10-23)28(13)19-8-3-14(24)11-20(19)32-22(25)26/h3-8,11-12,22H,9-10H2,1-2H3,(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (IQM-CSIC) Curated by ChEMBL					Assay Description Antagonist activity at Gal4-fused human MR LBD (671 to 984 residues) expressed in African Green Monkey CV-1 cells assessed as inhibition of aldostero...				J Med Chem 60: 2629-2650 (2017) Article DOI: 10.1021/acs.jmedchem.6b01065 BindingDB Entry DOI: 10.7270/Q2HD7XXB
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50235945 (CHEMBL4068898) Show SMILES Cc1c(cc(CCF)n1-c1ccc(F)cc1OC(F)F)C(=O)Nc1ccc(cc1)S(C)(=O)=O |(49.68,-18.43,;49.68,-19.97,;48.44,-20.87,;48.91,-22.34,;50.45,-22.34,;51.35,-23.59,;50.72,-24.99,;51.63,-26.24,;50.93,-20.87,;52.39,-20.4,;53.53,-21.43,;54.99,-20.96,;55.32,-19.45,;56.78,-18.98,;54.16,-18.42,;52.7,-18.9,;51.56,-17.87,;51.87,-16.36,;50.72,-15.34,;53.33,-15.88,;46.97,-20.4,;46.65,-18.89,;45.83,-21.43,;44.36,-20.95,;44.05,-19.45,;42.59,-18.97,;41.44,-20,;41.77,-21.51,;43.23,-21.98,;39.97,-19.52,;38.83,-20.56,;39.19,-18.18,;40.74,-18.18,)| Show InChI InChI=1S/C22H20F4N2O4S/c1-13-18(21(29)27-15-4-6-17(7-5-15)33(2,30)31)12-16(9-10-23)28(13)19-8-3-14(24)11-20(19)32-22(25)26/h3-8,11-12,22H,9-10H2,1-2H3,(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (IQM-CSIC) Curated by ChEMBL					Assay Description compound was evaluated for inhibition of rat liver KYN 3-OHase.				J Med Chem 60: 2629-2650 (2017) Article DOI: 10.1021/acs.jmedchem.6b01065 BindingDB Entry DOI: 10.7270/Q2HD7XXB
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50235945 (CHEMBL4068898) Show SMILES Cc1c(cc(CCF)n1-c1ccc(F)cc1OC(F)F)C(=O)Nc1ccc(cc1)S(C)(=O)=O |(49.68,-18.43,;49.68,-19.97,;48.44,-20.87,;48.91,-22.34,;50.45,-22.34,;51.35,-23.59,;50.72,-24.99,;51.63,-26.24,;50.93,-20.87,;52.39,-20.4,;53.53,-21.43,;54.99,-20.96,;55.32,-19.45,;56.78,-18.98,;54.16,-18.42,;52.7,-18.9,;51.56,-17.87,;51.87,-16.36,;50.72,-15.34,;53.33,-15.88,;46.97,-20.4,;46.65,-18.89,;45.83,-21.43,;44.36,-20.95,;44.05,-19.45,;42.59,-18.97,;41.44,-20,;41.77,-21.51,;43.23,-21.98,;39.97,-19.52,;38.83,-20.56,;39.19,-18.18,;40.74,-18.18,)| Show InChI InChI=1S/C22H20F4N2O4S/c1-13-18(21(29)27-15-4-6-17(7-5-15)33(2,30)31)12-16(9-10-23)28(13)19-8-3-14(24)11-20(19)32-22(25)26/h3-8,11-12,22H,9-10H2,1-2H3,(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (IQM-CSIC) Curated by ChEMBL					Assay Description Antagonist activity at Gal4-fused human MR LBD (671 to 984 residues) expressed in African Green Monkey CV-1 cells assessed as inhibition of aldostero...				J Med Chem 60: 2629-2650 (2017) Article DOI: 10.1021/acs.jmedchem.6b01065 BindingDB Entry DOI: 10.7270/Q2HD7XXB
					More data for this Ligand-Target Pair