BDBM50121598 4-{2-[4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino}-6-(4-methyl-piperazin-1-yl)-[1,3,5]triazin-2-ylamino]-ethyl}-phenol::CHEMBL154988

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

InChI Key: InChIKey=NIONBRFEZRAYNX-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50121598   

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))	BDBM50121598 (4-{2-[4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...) Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(C)CC1 Show InChI InChI=1S/C26H34ClN7O/c1-32-16-18-34(19-17-32)26-30-24(28-14-13-21-7-11-23(35)12-8-21)29-25(31-26)33(2)15-3-4-20-5-9-22(27)10-6-20/h5-12,35H,3-4,13-19H2,1-2H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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))	BDBM50121598 (4-{2-[4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...) Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(C)CC1 Show InChI InChI=1S/C26H34ClN7O/c1-32-16-18-34(19-17-32)26-30-24(28-14-13-21-7-11-23(35)12-8-21)29-25(31-26)33(2)15-3-4-20-5-9-22(27)10-6-20/h5-12,35H,3-4,13-19H2,1-2H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	145	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