BDBM50210071 CHEMBL3885342

SMILES: CCC(=C(c1ccc(\C=C\C(O)=O)cc1)c1ccc(cc1)B(O)O)c1ccccc1

InChI Key: InChIKey=BINZFDGAOTWQNC-YGCRUXFTSA-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 = 50210071   

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))	BDBM50210071 (CHEMBL3885342) Show SMILES CCC(=C(c1ccc(\C=C\C(O)=O)cc1)c1ccc(cc1)B(O)O)c1ccccc1 Show InChI InChI=1S/C25H23BO4/c1-2-23(19-6-4-3-5-7-19)25(21-13-15-22(16-14-21)26(29)30)20-11-8-18(9-12-20)10-17-24(27)28/h3-17,29-30H,2H2,1H3,(H,27,28)/b17-10+,25-23+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Xavier University of Louisiana Curated by ChEMBL					Assay Description Downregulation of ERalpha in human MCF7 cells after 4 hrs by Western blot analysis				ACS Med Chem Lett 8: 102-106 (2017) Article DOI: 10.1021/acsmedchemlett.6b00410 BindingDB Entry DOI: 10.7270/Q2J10557
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50210071 (CHEMBL3885342) Show SMILES CCC(=C(c1ccc(\C=C\C(O)=O)cc1)c1ccc(cc1)B(O)O)c1ccccc1 Show InChI InChI=1S/C25H23BO4/c1-2-23(19-6-4-3-5-7-19)25(21-13-15-22(16-14-21)26(29)30)20-11-8-18(9-12-20)10-17-24(27)28/h3-17,29-30H,2H2,1H3,(H,27,28)/b17-10+,25-23+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Xavier University of Louisiana Curated by ChEMBL					Assay Description Displacement of fluormone-labeled ES2 from recombinant full length human ERalpha ligand binding domain expressed in insect cells after 2 hrs by TR-FR...				ACS Med Chem Lett 8: 102-106 (2017) Article DOI: 10.1021/acsmedchemlett.6b00410 BindingDB Entry DOI: 10.7270/Q2J10557
					More data for this Ligand-Target Pair