BDBM50049500 1-Nitro-4-(4,6,6-trimethyl-2-methylene-cyclohex-3-enylsulfanyl)-benzene::CHEMBL49754

SMILES: CC1=CC(=C)C(Sc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1

InChI Key: InChIKey=XFNLFWZVHZGCOI-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 = 50049500   

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))	BDBM50049500 (1-Nitro-4-(4,6,6-trimethyl-2-methylene-cyclohex-3-...) Show SMILES CC1=CC(=C)C(Sc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1| Show InChI InChI=1S/C16H19NO2S/c1-11-9-12(2)15(16(3,4)10-11)20-14-7-5-13(6-8-14)17(18)19/h5-9,15H,2,10H2,1,3-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	119	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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50049500 (1-Nitro-4-(4,6,6-trimethyl-2-methylene-cyclohex-3-...) Show SMILES CC1=CC(=C)C(Sc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1| Show InChI InChI=1S/C16H19NO2S/c1-11-9-12(2)15(16(3,4)10-11)20-14-7-5-13(6-8-14)17(18)19/h5-9,15H,2,10H2,1,3-4H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	8.22E+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
Androgen Receptor (Homo sapiens (Human))	BDBM50049500 (1-Nitro-4-(4,6,6-trimethyl-2-methylene-cyclohex-3-...) Show SMILES CC1=CC(=C)C(Sc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1| Show InChI InChI=1S/C16H19NO2S/c1-11-9-12(2)15(16(3,4)10-11)20-14-7-5-13(6-8-14)17(18)19/h5-9,15H,2,10H2,1,3-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	>1.00E+4	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
Progesterone receptor (Homo sapiens (Human))	BDBM50049500 (1-Nitro-4-(4,6,6-trimethyl-2-methylene-cyclohex-3-...) Show SMILES CC1=CC(=C)C(Sc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1| Show InChI InChI=1S/C16H19NO2S/c1-11-9-12(2)15(16(3,4)10-11)20-14-7-5-13(6-8-14)17(18)19/h5-9,15H,2,10H2,1,3-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	420	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))	BDBM50049500 (1-Nitro-4-(4,6,6-trimethyl-2-methylene-cyclohex-3-...) Show SMILES CC1=CC(=C)C(Sc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1| Show InChI InChI=1S/C16H19NO2S/c1-11-9-12(2)15(16(3,4)10-11)20-14-7-5-13(6-8-14)17(18)19/h5-9,15H,2,10H2,1,3-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.35E+3	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