null

SMILES: CN(CCCc1ccc(cc1)C#N)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1

InChI Key: InChIKey=CXAWVEXUZCTTKM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50121620   

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))	BDBM50121620 (4-[3-({4-[2-(4-Hydroxy-phenyl)-ethylamino]-6-piper...) Show SMILES CN(CCCc1ccc(cc1)C#N)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1 Show InChI InChI=1S/C26H32N8O/c1-33(16-2-3-20-4-6-22(19-27)7-5-20)25-30-24(29-13-12-21-8-10-23(35)11-9-21)31-26(32-25)34-17-14-28-15-18-34/h4-11,28,35H,2-3,12-18H2,1H3,(H,29,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	90	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))	BDBM50121620 (4-[3-({4-[2-(4-Hydroxy-phenyl)-ethylamino]-6-piper...) Show SMILES CN(CCCc1ccc(cc1)C#N)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1 Show InChI InChI=1S/C26H32N8O/c1-33(16-2-3-20-4-6-22(19-27)7-5-20)25-30-24(29-13-12-21-8-10-23(35)11-9-21)31-26(32-25)34-17-14-28-15-18-34/h4-11,28,35H,2-3,12-18H2,1H3,(H,29,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	570	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