BDBM50185843 4-bromo-7-hydroxy-9a-propyl-1,2,9,9a-tetrahydrofluoren-3-one::CHEMBL377694

SMILES: CCCC12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2

InChI Key: InChIKey=HQYHRFRBTGQEHX-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50185843   

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
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185843 (4-bromo-7-hydroxy-9a-propyl-1,2,9,9a-tetrahydroflu...) Show SMILES CCCC12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2 |t:14| Show InChI InChI=1S/C16H17BrO2/c1-2-6-16-7-5-13(19)15(17)14(16)12-4-3-11(18)8-10(12)9-16/h3-4,8,18H,2,5-7,9H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50185843 (4-bromo-7-hydroxy-9a-propyl-1,2,9,9a-tetrahydroflu...) Show SMILES CCCC12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2 |t:14| Show InChI InChI=1S/C16H17BrO2/c1-2-6-16-7-5-13(19)15(17)14(16)12-4-3-11(18)8-10(12)9-16/h3-4,8,18H,2,5-7,9H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair