BDBM50049489 Acetic acid 5-bromo-4-methoxy-2-((S)-3,6,6-trimethyl-2-methylene-cyclohex-3-enylmethyl)-phenyl ester::CHEMBL50619

SMILES: COc1cc(C[C@@H]2C(=C)C(C)=CCC2(C)C)c(OC(C)=O)cc1Br

InChI Key: InChIKey=ZVQZJGGVFKLMKX-MRXNPFEDSA-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 = 50049489   

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))	BDBM50049489 (Acetic acid 5-bromo-4-methoxy-2-((S)-3,6,6-trimeth...) Show SMILES COc1cc(C[C@@H]2C(=C)C(C)=CCC2(C)C)c(OC(C)=O)cc1Br |c:10| Show InChI InChI=1S/C20H25BrO3/c1-12-7-8-20(4,5)16(13(12)2)9-15-10-19(23-6)17(21)11-18(15)24-14(3)22/h7,10-11,16H,2,8-9H2,1,3-6H3/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	455	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))	BDBM50049489 (Acetic acid 5-bromo-4-methoxy-2-((S)-3,6,6-trimeth...) Show SMILES COc1cc(C[C@@H]2C(=C)C(C)=CCC2(C)C)c(OC(C)=O)cc1Br |c:10| Show InChI InChI=1S/C20H25BrO3/c1-12-7-8-20(4,5)16(13(12)2)9-15-10-19(23-6)17(21)11-18(15)24-14(3)22/h7,10-11,16H,2,8-9H2,1,3-6H3/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.11E+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))	BDBM50049489 (Acetic acid 5-bromo-4-methoxy-2-((S)-3,6,6-trimeth...) Show SMILES COc1cc(C[C@@H]2C(=C)C(C)=CCC2(C)C)c(OC(C)=O)cc1Br |c:10| Show InChI InChI=1S/C20H25BrO3/c1-12-7-8-20(4,5)16(13(12)2)9-15-10-19(23-6)17(21)11-18(15)24-14(3)22/h7,10-11,16H,2,8-9H2,1,3-6H3/t16-/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	6.39E+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
Progesterone receptor (Homo sapiens (Human))	BDBM50049489 (Acetic acid 5-bromo-4-methoxy-2-((S)-3,6,6-trimeth...) Show SMILES COc1cc(C[C@@H]2C(=C)C(C)=CCC2(C)C)c(OC(C)=O)cc1Br |c:10| Show InChI InChI=1S/C20H25BrO3/c1-12-7-8-20(4,5)16(13(12)2)9-15-10-19(23-6)17(21)11-18(15)24-14(3)22/h7,10-11,16H,2,8-9H2,1,3-6H3/t16-/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	210	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))	BDBM50049489 (Acetic acid 5-bromo-4-methoxy-2-((S)-3,6,6-trimeth...) Show SMILES COc1cc(C[C@@H]2C(=C)C(C)=CCC2(C)C)c(OC(C)=O)cc1Br |c:10| Show InChI InChI=1S/C20H25BrO3/c1-12-7-8-20(4,5)16(13(12)2)9-15-10-19(23-6)17(21)11-18(15)24-14(3)22/h7,10-11,16H,2,8-9H2,1,3-6H3/t16-/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	660	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