null

SMILES: CN(CCCc1ccc2OCOc2c1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1

InChI Key: InChIKey=WVFVUQBIUYCCIB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50121603   

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))	BDBM50121603 (4-(2-{4-[(3-Benzo[1,3]dioxol-5-yl-propyl)-methyl-a...) Show SMILES CN(CCCc1ccc2OCOc2c1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1 Show InChI InChI=1S/C26H33N7O3/c1-32(14-2-3-20-6-9-22-23(17-20)36-18-35-22)25-29-24(28-11-10-19-4-7-21(34)8-5-19)30-26(31-25)33-15-12-27-13-16-33/h4-9,17,27,34H,2-3,10-16,18H2,1H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	30	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))	BDBM50121603 (4-(2-{4-[(3-Benzo[1,3]dioxol-5-yl-propyl)-methyl-a...) Show SMILES CN(CCCc1ccc2OCOc2c1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1 Show InChI InChI=1S/C26H33N7O3/c1-32(14-2-3-20-6-9-22-23(17-20)36-18-35-22)25-29-24(28-11-10-19-4-7-21(34)8-5-19)30-26(31-25)33-15-12-27-13-16-33/h4-9,17,27,34H,2-3,10-16,18H2,1H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	560	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