BDBM50409554 CHEMBL115729

SMILES: Oc1ccc([C@@H]2N=CN[C@@H]2c2c(Cl)cc(O)cc2Cl)c(F)c1

InChI Key: InChIKey=NMMPARYIHIERHQ-LSDHHAIUSA-N

Data: 1 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 1 hit for monomerid = 50409554   

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))	BDBM50409554 (CHEMBL115729) Show SMILES Oc1ccc([C@@H]2N=CN[C@@H]2c2c(Cl)cc(O)cc2Cl)c(F)c1 |c:6| Show InChI InChI=1S/C15H11Cl2FN2O2/c16-10-3-8(22)4-11(17)13(10)15-14(19-6-20-15)9-2-1-7(21)5-12(9)18/h1-6,14-15,21-22H,(H,19,20)/t14-,15+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	620	n/a	n/a	n/a	n/a
Free University of Berlin Curated by ChEMBL					Assay Description Agonist activity in transcriptional activation assay in MCF-7-2a cells compared to estradiol E2				J Med Chem 45: 3356-65 (2002) BindingDB Entry DOI: 10.7270/Q29W0GP4
					More data for this Ligand-Target Pair