BDBM50024856 CHEMBL3337829

SMILES: Cc1nn(CC(F)(F)CO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1

InChI Key: InChIKey=YPCPZZOTKIPGMW-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

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 5 hits for monomerid = 50024856   

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))	BDBM50024856 (CHEMBL3337829) Show SMILES Cc1nn(CC(F)(F)CO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H18F3N3O3/c1-12-19(14-4-7-17-16(8-14)25-18(29)9-30-17)20(13-2-5-15(22)6-3-13)27(26-12)10-21(23,24)11-28/h2-8,28H,9-11H2,1H3,(H,25,29)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [3H]aldosterone from human mineralocorticoid receptor expressed in 293 cells after 16 hrs by scintillation counting				Bioorg Med Chem 22: 5428-45 (2014) Article DOI: 10.1016/j.bmc.2014.07.038 BindingDB Entry DOI: 10.7270/Q218383G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Progesterone receptor (Homo sapiens (Human))	BDBM50024856 (CHEMBL3337829) Show SMILES Cc1nn(CC(F)(F)CO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H18F3N3O3/c1-12-19(14-4-7-17-16(8-14)25-18(29)9-30-17)20(13-2-5-15(22)6-3-13)27(26-12)10-21(23,24)11-28/h2-8,28H,9-11H2,1H3,(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [3H]-Dexamethasone from glucocorticoid receptor (unknown origin) expressed in 293 cells after 16 hrs by scintillation counting				Bioorg Med Chem 22: 5428-45 (2014) Article DOI: 10.1016/j.bmc.2014.07.038 BindingDB Entry DOI: 10.7270/Q218383G
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50024856 (CHEMBL3337829) Show SMILES Cc1nn(CC(F)(F)CO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H18F3N3O3/c1-12-19(14-4-7-17-16(8-14)25-18(29)9-30-17)20(13-2-5-15(22)6-3-13)27(26-12)10-21(23,24)11-28/h2-8,28H,9-11H2,1H3,(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [[3H]-Progesterone from progesterone receptor (unknown origin) expressed in 293 cells after 16 hrs by scintillation counting				Bioorg Med Chem 22: 5428-45 (2014) Article DOI: 10.1016/j.bmc.2014.07.038 BindingDB Entry DOI: 10.7270/Q218383G
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50024856 (CHEMBL3337829) Show SMILES Cc1nn(CC(F)(F)CO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H18F3N3O3/c1-12-19(14-4-7-17-16(8-14)25-18(29)9-30-17)20(13-2-5-15(22)6-3-13)27(26-12)10-21(23,24)11-28/h2-8,28H,9-11H2,1H3,(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [3H]testosterone from androgen receptor (unknown origin) expressed in 293 cells after 16 hrs by scintillation counting				Bioorg Med Chem 22: 5428-45 (2014) Article DOI: 10.1016/j.bmc.2014.07.038 BindingDB Entry DOI: 10.7270/Q218383G
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50024856 (CHEMBL3337829) Show SMILES Cc1nn(CC(F)(F)CO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H18F3N3O3/c1-12-19(14-4-7-17-16(8-14)25-18(29)9-30-17)20(13-2-5-15(22)6-3-13)27(26-12)10-21(23,24)11-28/h2-8,28H,9-11H2,1H3,(H,25,29)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Antagonist activity at human mineralocorticoid receptor expressed in COS1 cells after 1 day by luciferase reporter gene assay				Bioorg Med Chem 22: 5428-45 (2014) Article DOI: 10.1016/j.bmc.2014.07.038 BindingDB Entry DOI: 10.7270/Q218383G
					More data for this Ligand-Target Pair				3D Structure (crystal)