BDBM50427842 CHEMBL2326072

SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCC#Cc1ccc(cc1)-n1cccc1)Cc1cc(O)ccc31

InChI Key: InChIKey=XCPJWYKWACPRGL-GDOMDJCBSA-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 = 50427842   

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))	BDBM50427842 (CHEMBL2326072) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCC#Cc1ccc(cc1)-n1cccc1)Cc1cc(O)ccc31 |r| Show InChI InChI=1S/C34H39NO2/c1-34-19-18-30-29-15-14-28(36)23-26(29)22-25(33(30)31(34)16-17-32(34)37)9-5-3-2-4-8-24-10-12-27(13-11-24)35-20-6-7-21-35/h6-7,10-15,20-21,23,25,30-33,36-37H,2-3,5,9,16-19,22H2,1H3/t25-,30-,31+,32+,33-,34+/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	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))	BDBM50427842 (CHEMBL2326072) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCC#Cc1ccc(cc1)-n1cccc1)Cc1cc(O)ccc31 |r| Show InChI InChI=1S/C34H39NO2/c1-34-19-18-30-29-15-14-28(36)23-26(29)22-25(33(30)31(34)16-17-32(34)37)9-5-3-2-4-8-24-10-12-27(13-11-24)35-20-6-7-21-35/h6-7,10-15,20-21,23,25,30-33,36-37H,2-3,5,9,16-19,22H2,1H3/t25-,30-,31+,32+,33-,34+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	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