BDBM50427838 CHEMBL2326076

SMILES: CCOC(=O)CC(=O)c1ccc(cc1)C#CCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12

InChI Key: InChIKey=DWTNKXOQSZYRNO-JREWWFGGSA-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 = 50427838   

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-related receptor beta (Homo sapiens (Human))	BDBM50427838 (CHEMBL2326076) Show SMILES CCOC(=O)CC(=O)c1ccc(cc1)C#CCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 |r| Show InChI InChI=1S/C35H42O5/c1-3-40-33(39)22-31(37)24-12-10-23(11-13-24)8-6-4-5-7-9-25-20-26-21-27(36)14-15-28(26)29-18-19-35(2)30(34(25)29)16-17-32(35)38/h10-15,21,25,29-30,32,34,36,38H,3-5,7,9,16-20,22H2,1-2H3/t25-,29-,30+,32+,34-,35+/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	185	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]E2 from human recombinant ERbeta receptor after overnight incubation by liquid scintillation counting analysis				J Med Chem 56: 2779-90 (2013) Article DOI: 10.1021/jm3013773 BindingDB Entry DOI: 10.7270/Q2CC121G
					More data for this Ligand-Target Pair
Estrogen-related receptor alpha (Homo sapiens (Human))	BDBM50427838 (CHEMBL2326076) Show SMILES CCOC(=O)CC(=O)c1ccc(cc1)C#CCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 |r| Show InChI InChI=1S/C35H42O5/c1-3-40-33(39)22-31(37)24-12-10-23(11-13-24)8-6-4-5-7-9-25-20-26-21-27(36)14-15-28(26)29-18-19-35(2)30(34(25)29)16-17-32(35)38/h10-15,21,25,29-30,32,34,36,38H,3-5,7,9,16-20,22H2,1-2H3/t25-,29-,30+,32+,34-,35+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]E2 from human recombinant ERalpha receptor after overnight incubation by liquid scintillation counting analysis				J Med Chem 56: 2779-90 (2013) Article DOI: 10.1021/jm3013773 BindingDB Entry DOI: 10.7270/Q2CC121G
					More data for this Ligand-Target Pair