null

SMILES: CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC(=O)c2ccccc2)CC1

InChI Key: InChIKey=WHBXFIZUXGGOSG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50121595   

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 beta (Homo sapiens (Human))	BDBM50121595 (2-(4-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...) Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC(=O)c2ccccc2)CC1 Show InChI InChI=1S/C33H38ClN7O2/c1-39(19-5-6-25-9-13-28(34)14-10-25)32-36-31(35-18-17-26-11-15-29(42)16-12-26)37-33(38-32)41-22-20-40(21-23-41)24-30(43)27-7-3-2-4-8-27/h2-4,7-16,42H,5-6,17-24H2,1H3,(H,35,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand				J Med Chem 45: 5492-505 (2002) BindingDB Entry DOI: 10.7270/Q2J965RW
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50121595 (2-(4-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...) Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC(=O)c2ccccc2)CC1 Show InChI InChI=1S/C33H38ClN7O2/c1-39(19-5-6-25-9-13-28(34)14-10-25)32-36-31(35-18-17-26-11-15-29(42)16-12-26)37-33(38-32)41-22-20-40(21-23-41)24-30(43)27-7-3-2-4-8-27/h2-4,7-16,42H,5-6,17-24H2,1H3,(H,35,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description In vitro binding affinity towards human Estrogen receptor alpha using [3H]-17-beta-estradiol as radioligand				J Med Chem 45: 5492-505 (2002) BindingDB Entry DOI: 10.7270/Q2J965RW
					More data for this Ligand-Target Pair