BDBM50427834 CHEMBL2326068

SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCc1cn(CC2COc4ccccc4O2)nn1)Cc1cc(O)ccc31

InChI Key: InChIKey=AWCSWPAAFIXQFA-GWCQTFJGSA-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 = 50427834   

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))	BDBM50427834 (CHEMBL2326068) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCc1cn(CC2COc4ccccc4O2)nn1)Cc1cc(O)ccc31 |r| Show InChI InChI=1S/C33H41N3O4/c1-33-15-14-27-26-11-10-24(37)17-22(26)16-21(32(27)28(33)12-13-31(33)38)6-2-3-7-23-18-36(35-34-23)19-25-20-39-29-8-4-5-9-30(29)40-25/h4-5,8-11,17-18,21,25,27-28,31-32,37-38H,2-3,6-7,12-16,19-20H2,1H3/t21-,25?,27-,28+,31+,32-,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	24	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))	BDBM50427834 (CHEMBL2326068) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCc1cn(CC2COc4ccccc4O2)nn1)Cc1cc(O)ccc31 |r| Show InChI InChI=1S/C33H41N3O4/c1-33-15-14-27-26-11-10-24(37)17-22(26)16-21(32(27)28(33)12-13-31(33)38)6-2-3-7-23-18-36(35-34-23)19-25-20-39-29-8-4-5-9-30(29)40-25/h4-5,8-11,17-18,21,25,27-28,31-32,37-38H,2-3,6-7,12-16,19-20H2,1H3/t21-,25?,27-,28+,31+,32-,33+/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	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))	BDBM50427834 (CHEMBL2326068) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCc1cn(CC2COc4ccccc4O2)nn1)Cc1cc(O)ccc31 |r| Show InChI InChI=1S/C33H41N3O4/c1-33-15-14-27-26-11-10-24(37)17-22(26)16-21(32(27)28(33)12-13-31(33)38)6-2-3-7-23-18-36(35-34-23)19-25-20-39-29-8-4-5-9-30(29)40-25/h4-5,8-11,17-18,21,25,27-28,31-32,37-38H,2-3,6-7,12-16,19-20H2,1H3/t21-,25?,27-,28+,31+,32-,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	50	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