BDBM50398932 CHEMBL2178797

SMILES: CCCn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1)-c1ccc(O)cc1

InChI Key: InChIKey=YYLPTPJOWFJPTK-UHFFFAOYSA-N

Data: 2 EC50

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 = 50398932   

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))	BDBM50398932 (CHEMBL2178797) Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1)-c1ccc(O)cc1 |(37.4,-10.26,;37.07,-8.76,;38.21,-7.72,;37.89,-6.22,;36.48,-5.59,;36.63,-4.06,;38.14,-3.74,;38.91,-5.07,;40.44,-5.22,;41.33,-3.98,;42.86,-4.12,;43.5,-5.53,;45.03,-5.69,;42.6,-6.78,;41.07,-6.63,;40.17,-7.88,;38.76,-2.33,;40.29,-2.17,;40.91,-.76,;40,.5,;40.62,1.9,;38.46,.31,;37.85,-1.1,;35.14,-6.37,;33.8,-5.61,;32.48,-6.38,;32.47,-7.92,;31.14,-8.69,;33.81,-8.69,;35.14,-7.92,)| Show InChI InChI=1S/C25H22FNO3/c1-2-13-27-24(17-5-9-19(29)10-6-17)15-22(16-3-7-18(28)8-4-16)25(27)21-12-11-20(30)14-23(21)26/h3-12,14-15,28-30H,2,13H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Activation of ERalpha in human MCF7/2a cells by luciferase reporter gene assay relative to untreated control				J Med Chem 55: 9607-18 (2012) Article DOI: 10.1021/jm300860j BindingDB Entry DOI: 10.7270/Q2R212H2
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50398932 (CHEMBL2178797) Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1)-c1ccc(O)cc1 |(37.4,-10.26,;37.07,-8.76,;38.21,-7.72,;37.89,-6.22,;36.48,-5.59,;36.63,-4.06,;38.14,-3.74,;38.91,-5.07,;40.44,-5.22,;41.33,-3.98,;42.86,-4.12,;43.5,-5.53,;45.03,-5.69,;42.6,-6.78,;41.07,-6.63,;40.17,-7.88,;38.76,-2.33,;40.29,-2.17,;40.91,-.76,;40,.5,;40.62,1.9,;38.46,.31,;37.85,-1.1,;35.14,-6.37,;33.8,-5.61,;32.48,-6.38,;32.47,-7.92,;31.14,-8.69,;33.81,-8.69,;35.14,-7.92,)| Show InChI InChI=1S/C25H22FNO3/c1-2-13-27-24(17-5-9-19(29)10-6-17)15-22(16-3-7-18(28)8-4-16)25(27)21-12-11-20(30)14-23(21)26/h3-12,14-15,28-30H,2,13H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.120	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Activation of human ERalpha expressed in human U2-OS cells by luciferase reporter gene assay relative to untreated control				J Med Chem 55: 9607-18 (2012) Article DOI: 10.1021/jm300860j BindingDB Entry DOI: 10.7270/Q2R212H2
					More data for this Ligand-Target Pair