BDBM50408093 CHEMBL2113712

SMILES: CC1=CC(=C)C(O)(Cc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1

InChI Key: InChIKey=URMJZNZDTMFUKD-UHFFFAOYSA-N

Data: 3 KI  2 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 5 hits for monomerid = 50408093   

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
Progesterone receptor (Homo sapiens (Human))	BDBM50408093 (CHEMBL2113712) Show SMILES CC1=CC(=C)C(O)(Cc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1| Show InChI InChI=1S/C17H21NO3/c1-12-9-13(2)17(19,16(3,4)10-12)11-14-5-7-15(8-6-14)18(20)21/h5-9,19H,2,10-11H2,1,3-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	243	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 determined for human Progesterone receptor A isoform				J Med Chem 39: 1778-89 (1996) Article DOI: 10.1021/jm950747d BindingDB Entry DOI: 10.7270/Q2416XQ2
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50408093 (CHEMBL2113712) Show SMILES CC1=CC(=C)C(O)(Cc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1| Show InChI InChI=1S/C17H21NO3/c1-12-9-13(2)17(19,16(3,4)10-12)11-14-5-7-15(8-6-14)18(20)21/h5-9,19H,2,10-11H2,1,3-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.45E+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 determined against human Androgen receptor				J Med Chem 39: 1778-89 (1996) Article DOI: 10.1021/jm950747d BindingDB Entry DOI: 10.7270/Q2416XQ2
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50408093 (CHEMBL2113712) Show SMILES CC1=CC(=C)C(O)(Cc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1| Show InChI InChI=1S/C17H21NO3/c1-12-9-13(2)17(19,16(3,4)10-12)11-14-5-7-15(8-6-14)18(20)21/h5-9,19H,2,10-11H2,1,3-4H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.51E+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 was determined for human glucocorticoid receptor(hGR).				J Med Chem 39: 1778-89 (1996) Article DOI: 10.1021/jm950747d BindingDB Entry DOI: 10.7270/Q2416XQ2
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50408093 (CHEMBL2113712) Show SMILES CC1=CC(=C)C(O)(Cc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1| Show InChI InChI=1S/C17H21NO3/c1-12-9-13(2)17(19,16(3,4)10-12)11-14-5-7-15(8-6-14)18(20)21/h5-9,19H,2,10-11H2,1,3-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic potency to the human progesterone receptor measured in the T-47D alkaline phosphatase assay				J Med Chem 39: 1778-89 (1996) Article DOI: 10.1021/jm950747d BindingDB Entry DOI: 10.7270/Q2416XQ2
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50408093 (CHEMBL2113712) Show SMILES CC1=CC(=C)C(O)(Cc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1| Show InChI InChI=1S/C17H21NO3/c1-12-9-13(2)17(19,16(3,4)10-12)11-14-5-7-15(8-6-14)18(20)21/h5-9,19H,2,10-11H2,1,3-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Concentration required to give half-maximal inhibition against human Progesterone receptor B isoform in co-transfected CV-1 cell lines.				J Med Chem 39: 1778-89 (1996) Article DOI: 10.1021/jm950747d BindingDB Entry DOI: 10.7270/Q2416XQ2
					More data for this Ligand-Target Pair