null

SMILES: CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC1)C(=O)CCc1ccccc1

InChI Key: InChIKey=WMFVIXHKRIUIEU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50121614   

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))	BDBM50121614 (1-(4-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...) Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC1)C(=O)CCc1ccccc1 Show InChI InChI=1S/C34H40ClN7O2/c1-40(21-5-8-27-9-14-29(35)15-10-27)33-37-32(36-20-19-28-11-16-30(43)17-12-28)38-34(39-33)42-24-22-41(23-25-42)31(44)18-13-26-6-3-2-4-7-26/h2-4,6-7,9-12,14-17,43H,5,8,13,18-25H2,1H3,(H,36,37,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	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))	BDBM50121614 (1-(4-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...) Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC1)C(=O)CCc1ccccc1 Show InChI InChI=1S/C34H40ClN7O2/c1-40(21-5-8-27-9-14-29(35)15-10-27)33-37-32(36-20-19-28-11-16-30(43)17-12-28)38-34(39-33)42-24-22-41(23-25-42)31(44)18-13-26-6-3-2-4-7-26/h2-4,6-7,9-12,14-17,43H,5,8,13,18-25H2,1H3,(H,36,37,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.05E+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