BDBM50427836 CHEMBL2326070

SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCc1cn(nn1)-c1cc2ccc(O)cc2oc1=O)Cc1cc(O)ccc31

InChI Key: InChIKey=YPLWXUBAJNIFDO-UGVMDCGZSA-N

Data: 3 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 3 hits for monomerid = 50427836   

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 alpha (Homo sapiens (Human))	BDBM50427836 (CHEMBL2326070) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCc1cn(nn1)-c1cc2ccc(O)cc2oc1=O)Cc1cc(O)ccc31 |r| Show InChI InChI=1S/C33H37N3O5/c1-33-13-12-26-25-9-8-23(37)15-21(25)14-20(31(26)27(33)10-11-30(33)39)4-2-3-5-22-18-36(35-34-22)28-16-19-6-7-24(38)17-29(19)41-32(28)40/h6-9,15-18,20,26-27,30-31,37-39H,2-5,10-14H2,1H3/t20-,26-,27+,30+,31-,33+/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	116	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
Estrogen-related receptor beta (Homo sapiens (Human))	BDBM50427836 (CHEMBL2326070) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCc1cn(nn1)-c1cc2ccc(O)cc2oc1=O)Cc1cc(O)ccc31 |r| Show InChI InChI=1S/C33H37N3O5/c1-33-13-12-26-25-9-8-23(37)15-21(25)14-20(31(26)27(33)10-11-30(33)39)4-2-3-5-22-18-36(35-34-22)28-16-19-6-7-24(38)17-29(19)41-32(28)40/h6-9,15-18,20,26-27,30-31,37-39H,2-5,10-14H2,1H3/t20-,26-,27+,30+,31-,33+/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	112	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))	BDBM50427836 (CHEMBL2326070) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCc1cn(nn1)-c1cc2ccc(O)cc2oc1=O)Cc1cc(O)ccc31 |r| Show InChI InChI=1S/C33H37N3O5/c1-33-13-12-26-25-9-8-23(37)15-21(25)14-20(31(26)27(33)10-11-30(33)39)4-2-3-5-22-18-36(35-34-22)28-16-19-6-7-24(38)17-29(19)41-32(28)40/h6-9,15-18,20,26-27,30-31,37-39H,2-5,10-14H2,1H3/t20-,26-,27+,30+,31-,33+/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	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Medical Center Curated by ChEMBL					Assay Description Antagonist activity at ERalpha receptor in human MCF7 cells assessed as inhibition of cell growth after 6 days by crystal violet staining method				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