BDBM50153698 CHEMBL3775329

SMILES: COC[C@H](C)CN1[C@H](C)Cc2cc(O)ccc2[C@H]1c1ccc(\C=C\C(O)=O)cc1

InChI Key: InChIKey=VBVXGJFZNBCFBY-AQWNMNPJSA-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 = 50153698   

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 receptor (Homo sapiens (Human))	BDBM50153698 (CHEMBL3775329) Show SMILES COC[C@H](C)CN1[C@H](C)Cc2cc(O)ccc2[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C24H29NO4/c1-16(15-29-3)14-25-17(2)12-20-13-21(26)9-10-22(20)24(25)19-7-4-18(5-8-19)6-11-23(27)28/h4-11,13,16-17,24,26H,12,14-15H2,1-3H3,(H,27,28)/b11-6+/t16-,17-,24-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Downregulation of ERalpha in human MCF7 cells incubated for 18 to 22 hrs by immunofluorescence assay				ACS Med Chem Lett 7: 94-9 (2016) BindingDB Entry DOI: 10.7270/Q2HD7XHZ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50153698 (CHEMBL3775329) Show SMILES COC[C@H](C)CN1[C@H](C)Cc2cc(O)ccc2[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C24H29NO4/c1-16(15-29-3)14-25-17(2)12-20-13-21(26)9-10-22(20)24(25)19-7-4-18(5-8-19)6-11-23(27)28/h4-11,13,16-17,24,26H,12,14-15H2,1-3H3,(H,27,28)/b11-6+/t16-,17-,24-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone ES2 from GST-tagged recombinant human ERalpha LBD after 1 hr by Lanthascreen TR-FRET assay				ACS Med Chem Lett 7: 94-9 (2016) BindingDB Entry DOI: 10.7270/Q2HD7XHZ
					More data for this Ligand-Target Pair