BDBM50439613 CHEMBL2419295

SMILES: CCN1C(C)C(=C(C1=O)c1ccc(F)cc1)c1ccc2OCC(=O)Nc2c1

InChI Key: InChIKey=PORRNAABVGMIRR-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50439613   

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))	BDBM50439613 (CHEMBL2419295) Show SMILES CCN1C(C)C(=C(C1=O)c1ccc(F)cc1)c1ccc2OCC(=O)Nc2c1 |c:5| Show InChI InChI=1S/C21H19FN2O3/c1-3-24-12(2)19(20(21(24)26)13-4-7-15(22)8-5-13)14-6-9-17-16(10-14)23-18(25)11-27-17/h4-10,12H,3,11H2,1-2H3,(H,23,25)	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	33	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 MR expressed in 293 cells after 16 hrs by scintillation counting				Bioorg Med Chem 21: 5983-94 (2013) Article DOI: 10.1016/j.bmc.2013.07.043 BindingDB Entry DOI: 10.7270/Q2TD9ZSH
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50439613 (CHEMBL2419295) Show SMILES CCN1C(C)C(=C(C1=O)c1ccc(F)cc1)c1ccc2OCC(=O)Nc2c1 |c:5| Show InChI InChI=1S/C21H19FN2O3/c1-3-24-12(2)19(20(21(24)26)13-4-7-15(22)8-5-13)14-6-9-17-16(10-14)23-18(25)11-27-17/h4-10,12H,3,11H2,1-2H3,(H,23,25)	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	1.60E+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 human GR expressed in 293 cells after 16 hrs by scintillation counting				Bioorg Med Chem 21: 5983-94 (2013) Article DOI: 10.1016/j.bmc.2013.07.043 BindingDB Entry DOI: 10.7270/Q2TD9ZSH
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50439613 (CHEMBL2419295) Show SMILES CCN1C(C)C(=C(C1=O)c1ccc(F)cc1)c1ccc2OCC(=O)Nc2c1 |c:5| Show InChI InChI=1S/C21H19FN2O3/c1-3-24-12(2)19(20(21(24)26)13-4-7-15(22)8-5-13)14-6-9-17-16(10-14)23-18(25)11-27-17/h4-10,12H,3,11H2,1-2H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 human AR expressed in 293 cells after 16 hrs by scintillation counting				Bioorg Med Chem 21: 5983-94 (2013) Article DOI: 10.1016/j.bmc.2013.07.043 BindingDB Entry DOI: 10.7270/Q2TD9ZSH
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50439613 (CHEMBL2419295) Show SMILES CCN1C(C)C(=C(C1=O)c1ccc(F)cc1)c1ccc2OCC(=O)Nc2c1 |c:5| Show InChI InChI=1S/C21H19FN2O3/c1-3-24-12(2)19(20(21(24)26)13-4-7-15(22)8-5-13)14-6-9-17-16(10-14)23-18(25)11-27-17/h4-10,12H,3,11H2,1-2H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	770	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 human PR expressed in 293 cells after 16 hrs by scintillation counting				Bioorg Med Chem 21: 5983-94 (2013) Article DOI: 10.1016/j.bmc.2013.07.043 BindingDB Entry DOI: 10.7270/Q2TD9ZSH
					More data for this Ligand-Target Pair