BDBM50187940 CHEMBL378990::rac-6-bromo-9a-methyl-8,9,9a,10-tetrahydroindeno[2,1-e]indazol-7(3H)-one

SMILES: CC12Cc3c(ccc4[nH]ncc34)C1=C(Br)C(=O)CC2

InChI Key: InChIKey=DEQMSCVZHSAQHJ-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 = 50187940   

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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50187940 (CHEMBL378990 | rac-6-bromo-9a-methyl-8,9,9a,10-tet...) Show SMILES CC12Cc3c(ccc4[nH]ncc34)C1=C(Br)C(=O)CC2 |t:15| Show InChI InChI=1S/C15H13BrN2O/c1-15-5-4-12(19)14(16)13(15)8-2-3-11-10(7-17-18-11)9(8)6-15/h2-3,7H,4-6H2,1H3,(H,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 3896-901 (2006) Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50187940 (CHEMBL378990 | rac-6-bromo-9a-methyl-8,9,9a,10-tet...) Show SMILES CC12Cc3c(ccc4[nH]ncc34)C1=C(Br)C(=O)CC2 |t:15| Show InChI InChI=1S/C15H13BrN2O/c1-15-5-4-12(19)14(16)13(15)8-2-3-11-10(7-17-18-11)9(8)6-15/h2-3,7H,4-6H2,1H3,(H,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERalpha				Bioorg Med Chem Lett 16: 3896-901 (2006) Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01
					More data for this Ligand-Target Pair