Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 365.4 BDBM50067668

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 7 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Progesterone receptor (Homo sapiens (Human))	BDBM50067668 (2,2,4-Trimethyl-5-[1-phenyl-meth-(Z)-ylidene]-2,5-...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4)c3c12 |t:1| Show InChI InChI=1S/C26H23NO/c1-17-16-26(2,3)27-21-14-13-20-19-11-7-8-12-22(19)28-23(25(20)24(17)21)15-18-9-5-4-6-10-18/h4-16,27H,1-3H3/b23-15-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against human progesterone receptor				J Med Chem 41: 4354-9 (1998) Article DOI: 10.1021/jm980366a BindingDB Entry DOI: 10.7270/Q2V40TB5
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50067668 (2,2,4-Trimethyl-5-[1-phenyl-meth-(Z)-ylidene]-2,5-...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4)c3c12 |t:1| Show InChI InChI=1S/C26H23NO/c1-17-16-26(2,3)27-21-14-13-20-19-11-7-8-12-22(19)28-23(25(20)24(17)21)15-18-9-5-4-6-10-18/h4-16,27H,1-3H3/b23-15-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	299	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against human glucocorticoid receptor expressed in SF-12 cells				J Med Chem 41: 4354-9 (1998) Article DOI: 10.1021/jm980366a BindingDB Entry DOI: 10.7270/Q2V40TB5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50067668 (2,2,4-Trimethyl-5-[1-phenyl-meth-(Z)-ylidene]-2,5-...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4)c3c12 |t:1| Show InChI InChI=1S/C26H23NO/c1-17-16-26(2,3)27-21-14-13-20-19-11-7-8-12-22(19)28-23(25(20)24(17)21)15-18-9-5-4-6-10-18/h4-16,27H,1-3H3/b23-15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against human androgen receptor				J Med Chem 41: 4354-9 (1998) Article DOI: 10.1021/jm980366a BindingDB Entry DOI: 10.7270/Q2V40TB5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50067668 (2,2,4-Trimethyl-5-[1-phenyl-meth-(Z)-ylidene]-2,5-...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4)c3c12 |t:1| Show InChI InChI=1S/C26H23NO/c1-17-16-26(2,3)27-21-14-13-20-19-11-7-8-12-22(19)28-23(25(20)24(17)21)15-18-9-5-4-6-10-18/h4-16,27H,1-3H3/b23-15-	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	650	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity (IC50) against human androgen receptor expressed in CV-1 cells				J Med Chem 41: 4354-9 (1998) Article DOI: 10.1021/jm980366a BindingDB Entry DOI: 10.7270/Q2V40TB5
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50067668 (2,2,4-Trimethyl-5-[1-phenyl-meth-(Z)-ylidene]-2,5-...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4)c3c12 |t:1| Show InChI InChI=1S/C26H23NO/c1-17-16-26(2,3)27-21-14-13-20-19-11-7-8-12-22(19)28-23(25(20)24(17)21)15-18-9-5-4-6-10-18/h4-16,27H,1-3H3/b23-15-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	737	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity (IC50) against human glucocorticoid receptor expressed in CV-1 cells				J Med Chem 41: 4354-9 (1998) Article DOI: 10.1021/jm980366a BindingDB Entry DOI: 10.7270/Q2V40TB5
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50067668 (2,2,4-Trimethyl-5-[1-phenyl-meth-(Z)-ylidene]-2,5-...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4)c3c12 |t:1| Show InChI InChI=1S/C26H23NO/c1-17-16-26(2,3)27-21-14-13-20-19-11-7-8-12-22(19)28-23(25(20)24(17)21)15-18-9-5-4-6-10-18/h4-16,27H,1-3H3/b23-15-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity (IC50) against human mineralocorticoid receptor expressed in CV-1 cells				J Med Chem 41: 4354-9 (1998) Article DOI: 10.1021/jm980366a BindingDB Entry DOI: 10.7270/Q2V40TB5
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50067668 (2,2,4-Trimethyl-5-[1-phenyl-meth-(Z)-ylidene]-2,5-...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4)c3c12 |t:1| Show InChI InChI=1S/C26H23NO/c1-17-16-26(2,3)27-21-14-13-20-19-11-7-8-12-22(19)28-23(25(20)24(17)21)15-18-9-5-4-6-10-18/h4-16,27H,1-3H3/b23-15-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	24.4	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Effective concentration (EC50) against human progesterone receptor expressed in CV-1 cell				J Med Chem 41: 4354-9 (1998) Article DOI: 10.1021/jm980366a BindingDB Entry DOI: 10.7270/Q2V40TB5
					More data for this Ligand-Target Pair