BDBM50235972 CHEMBL4068008

SMILES: CCOc1nccc2NC(C)=C(C#N)[C@@H](c3ccc(cc3OC)C#N)c12

InChI Key: InChIKey=ANOXKDNMHLYCBG-GOSISDBHSA-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 = 50235972   

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))	BDBM50235972 (CHEMBL4068008) Show SMILES CCOc1nccc2NC(C)=C(C#N)[C@@H](c3ccc(cc3OC)C#N)c12 |r,t:10| Show InChI InChI=1S/C20H18N4O2/c1-4-26-20-19-16(7-8-23-20)24-12(2)15(11-22)18(19)14-6-5-13(10-21)9-17(14)25-3/h5-9,18,24H,4H2,1-3H3/t18-/m1/s1	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	47	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 (734 to 985 residues) expressed in CHO-K1 cells after 5 to 6 hrs by luciferase reporter gene assay				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
Progesterone receptor (Homo sapiens (Human))	BDBM50235972 (CHEMBL4068008) Show SMILES CCOc1nccc2NC(C)=C(C#N)[C@@H](c3ccc(cc3OC)C#N)c12 |r,t:10| Show InChI InChI=1S/C20H18N4O2/c1-4-26-20-19-16(7-8-23-20)24-12(2)15(11-22)18(19)14-6-5-13(10-21)9-17(14)25-3/h5-9,18,24H,4H2,1-3H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+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 PR LBD (680 to 933 residues) expressed in CHO-K1 cells assessed as inhibition of progesterone-induced transac...				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
Androgen Receptor (Homo sapiens (Human))	BDBM50235972 (CHEMBL4068008) Show SMILES CCOc1nccc2NC(C)=C(C#N)[C@@H](c3ccc(cc3OC)C#N)c12 |r,t:10| Show InChI InChI=1S/C20H18N4O2/c1-4-26-20-19-16(7-8-23-20)24-12(2)15(11-22)18(19)14-6-5-13(10-21)9-17(14)25-3/h5-9,18,24H,4H2,1-3H3/t18-/m1/s1	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	2.80E+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 AR LBD (667 to 919 residues) expressed in CHO-K1 cells assessed as inhibition of dihydrotestosterone-induced ...				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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50235972 (CHEMBL4068008) Show SMILES CCOc1nccc2NC(C)=C(C#N)[C@@H](c3ccc(cc3OC)C#N)c12 |r,t:10| Show InChI InChI=1S/C20H18N4O2/c1-4-26-20-19-16(7-8-23-20)24-12(2)15(11-22)18(19)14-6-5-13(10-21)9-17(14)25-3/h5-9,18,24H,4H2,1-3H3/t18-/m1/s1	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	6.90E+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 GR LBD (443 to 777 residues) expressed in CHO-K1 cells assessed as inhibition of dexamethasone-induced transa...				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