null

SMILES: CN(CCCc1ccc(F)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1

InChI Key: InChIKey=XYHKCYDTSYOWPV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50121602   

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))	BDBM50121602 (4-[2-(4-{[3-(4-Fluoro-phenyl)-propyl]-methyl-amino...) Show SMILES CN(CCCc1ccc(F)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1 Show InChI InChI=1S/C25H32FN7O/c1-32(16-2-3-19-4-8-21(26)9-5-19)24-29-23(28-13-12-20-6-10-22(34)11-7-20)30-25(31-24)33-17-14-27-15-18-33/h4-11,27,34H,2-3,12-18H2,1H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	15	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))	BDBM50121602 (4-[2-(4-{[3-(4-Fluoro-phenyl)-propyl]-methyl-amino...) Show SMILES CN(CCCc1ccc(F)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1 Show InChI InChI=1S/C25H32FN7O/c1-32(16-2-3-19-4-8-21(26)9-5-19)24-29-23(28-13-12-20-6-10-22(34)11-7-20)30-25(31-24)33-17-14-27-15-18-33/h4-11,27,34H,2-3,12-18H2,1H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	380	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
Estrogen receptor (Homo sapiens (Human))	BDBM50121602 (4-[2-(4-{[3-(4-Fluoro-phenyl)-propyl]-methyl-amino...) Show SMILES CN(CCCc1ccc(F)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1 Show InChI InChI=1S/C25H32FN7O/c1-32(16-2-3-19-4-8-21(26)9-5-19)24-29-23(28-13-12-20-6-10-22(34)11-7-20)30-25(31-24)33-17-14-27-15-18-33/h4-11,27,34H,2-3,12-18H2,1H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Agonist effect on transcriptional activation in T47D cells expressing estrogen receptor alpha				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))	BDBM50121602 (4-[2-(4-{[3-(4-Fluoro-phenyl)-propyl]-methyl-amino...) Show SMILES CN(CCCc1ccc(F)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1 Show InChI InChI=1S/C25H32FN7O/c1-32(16-2-3-19-4-8-21(26)9-5-19)24-29-23(28-13-12-20-6-10-22(34)11-7-20)30-25(31-24)33-17-14-27-15-18-33/h4-11,27,34H,2-3,12-18H2,1H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of transcriptional activation induced by 1 nM 17-beta estradiol in T47D cells expressing estrogen receptor alpha				J Med Chem 45: 5492-505 (2002) BindingDB Entry DOI: 10.7270/Q2J965RW
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50121602 (4-[2-(4-{[3-(4-Fluoro-phenyl)-propyl]-methyl-amino...) Show SMILES CN(CCCc1ccc(F)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1 Show InChI InChI=1S/C25H32FN7O/c1-32(16-2-3-19-4-8-21(26)9-5-19)24-29-23(28-13-12-20-6-10-22(34)11-7-20)30-25(31-24)33-17-14-27-15-18-33/h4-11,27,34H,2-3,12-18H2,1H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of 1 nM 17-beta-estradiol induced transcriptional activation in T47D cells expressing estrogen receptor beta				J Med Chem 45: 5492-505 (2002) BindingDB Entry DOI: 10.7270/Q2J965RW
					More data for this Ligand-Target Pair