BDBM50049510 Acetic acid 5-bromo-2-((1S,6R)-4,6-dimethyl-2-methylene-cyclohex-3-enylmethyl)-4-methoxy-phenyl ester::CHEMBL51933

SMILES: COc1cc(C[C@H]2[C@H](C)CC(C)=CC2=C)c(OC(C)=O)cc1Br

InChI Key: InChIKey=IDYFIJMAKRNLNH-CZUORRHYSA-N

Data: 3 KI  2 IC50  1 EC50

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 6 hits for monomerid = 50049510   

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))	BDBM50049510 (Acetic acid 5-bromo-2-((1S,6R)-4,6-dimethyl-2-meth...) Show SMILES COc1cc(C[C@H]2[C@H](C)CC(C)=CC2=C)c(OC(C)=O)cc1Br |c:11| Show InChI InChI=1S/C19H23BrO3/c1-11-6-12(2)16(13(3)7-11)8-15-9-19(22-5)17(20)10-18(15)23-14(4)21/h6,9-10,13,16H,2,7-8H2,1,3-5H3/t13-,16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	21	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))	BDBM50049510 (Acetic acid 5-bromo-2-((1S,6R)-4,6-dimethyl-2-meth...) Show SMILES COc1cc(C[C@H]2[C@H](C)CC(C)=CC2=C)c(OC(C)=O)cc1Br |c:11| Show InChI InChI=1S/C19H23BrO3/c1-11-6-12(2)16(13(3)7-11)8-15-9-19(22-5)17(20)10-18(15)23-14(4)21/h6,9-10,13,16H,2,7-8H2,1,3-5H3/t13-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.50E+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))	BDBM50049510 (Acetic acid 5-bromo-2-((1S,6R)-4,6-dimethyl-2-meth...) Show SMILES COc1cc(C[C@H]2[C@H](C)CC(C)=CC2=C)c(OC(C)=O)cc1Br |c:11| Show InChI InChI=1S/C19H23BrO3/c1-11-6-12(2)16(13(3)7-11)8-15-9-19(22-5)17(20)10-18(15)23-14(4)21/h6,9-10,13,16H,2,7-8H2,1,3-5H3/t13-,16-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.38E+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))	BDBM50049510 (Acetic acid 5-bromo-2-((1S,6R)-4,6-dimethyl-2-meth...) Show SMILES COc1cc(C[C@H]2[C@H](C)CC(C)=CC2=C)c(OC(C)=O)cc1Br |c:11| Show InChI InChI=1S/C19H23BrO3/c1-11-6-12(2)16(13(3)7-11)8-15-9-19(22-5)17(20)10-18(15)23-14(4)21/h6,9-10,13,16H,2,7-8H2,1,3-5H3/t13-,16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	350	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
Progesterone receptor (Homo sapiens (Human))	BDBM50049510 (Acetic acid 5-bromo-2-((1S,6R)-4,6-dimethyl-2-meth...) Show SMILES COc1cc(C[C@H]2[C@H](C)CC(C)=CC2=C)c(OC(C)=O)cc1Br |c:11| Show InChI InChI=1S/C19H23BrO3/c1-11-6-12(2)16(13(3)7-11)8-15-9-19(22-5)17(20)10-18(15)23-14(4)21/h6,9-10,13,16H,2,7-8H2,1,3-5H3/t13-,16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	147	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))	BDBM50049510 (Acetic acid 5-bromo-2-((1S,6R)-4,6-dimethyl-2-meth...) Show SMILES COc1cc(C[C@H]2[C@H](C)CC(C)=CC2=C)c(OC(C)=O)cc1Br |c:11| Show InChI InChI=1S/C19H23BrO3/c1-11-6-12(2)16(13(3)7-11)8-15-9-19(22-5)17(20)10-18(15)23-14(4)21/h6,9-10,13,16H,2,7-8H2,1,3-5H3/t13-,16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.01E+3	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Effective concentration against human Progesterone receptor B isoform expressed in CV-1 cells				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