BDBM50398942 CHEMBL2179252

SMILES: Cn1c(cc(c1-c1ccc(O)cc1Cl)-c1ccc(O)cc1)-c1ccc(O)cc1

InChI Key: InChIKey=UDDSDTZODJGTEZ-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 = 50398942   

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))	BDBM50398942 (CHEMBL2179252) Show SMILES Cn1c(cc(c1-c1ccc(O)cc1Cl)-c1ccc(O)cc1)-c1ccc(O)cc1 |(16.91,-23.7,;16.58,-22.2,;15.18,-21.58,;15.33,-20.05,;16.84,-19.72,;17.61,-21.05,;19.14,-21.2,;20.03,-19.96,;21.56,-20.11,;22.2,-21.52,;23.73,-21.67,;21.3,-22.77,;19.77,-22.61,;18.87,-23.86,;17.46,-18.32,;18.99,-18.15,;19.61,-16.74,;18.7,-15.5,;19.32,-14.09,;17.16,-15.67,;16.55,-17.08,;13.84,-22.35,;12.5,-21.59,;11.17,-22.36,;11.17,-23.9,;9.84,-24.67,;12.51,-24.68,;13.84,-23.9,)| Show InChI InChI=1S/C23H18ClNO3/c1-25-22(15-4-8-17(27)9-5-15)13-20(14-2-6-16(26)7-3-14)23(25)19-11-10-18(28)12-21(19)24/h2-13,26-28H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	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
Estrogen receptor (Homo sapiens (Human))	BDBM50398942 (CHEMBL2179252) Show SMILES Cn1c(cc(c1-c1ccc(O)cc1Cl)-c1ccc(O)cc1)-c1ccc(O)cc1 |(16.91,-23.7,;16.58,-22.2,;15.18,-21.58,;15.33,-20.05,;16.84,-19.72,;17.61,-21.05,;19.14,-21.2,;20.03,-19.96,;21.56,-20.11,;22.2,-21.52,;23.73,-21.67,;21.3,-22.77,;19.77,-22.61,;18.87,-23.86,;17.46,-18.32,;18.99,-18.15,;19.61,-16.74,;18.7,-15.5,;19.32,-14.09,;17.16,-15.67,;16.55,-17.08,;13.84,-22.35,;12.5,-21.59,;11.17,-22.36,;11.17,-23.9,;9.84,-24.67,;12.51,-24.68,;13.84,-23.9,)| Show InChI InChI=1S/C23H18ClNO3/c1-25-22(15-4-8-17(27)9-5-15)13-20(14-2-6-16(26)7-3-14)23(25)19-11-10-18(28)12-21(19)24/h2-13,26-28H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	600	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