BDBM50121617 1-(4-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino}-6-[2-(4-hydroxy-phenyl)-ethylamino]-[1,3,5]triazin-2-yl}-piperazin-1-yl)-3,3-dimethyl-butan-2-one::CHEMBL153289

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

InChI Key: InChIKey=XTCVGLXFDJQFHX-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 = 50121617   

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))	BDBM50121617 (1-(4-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...) Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC(=O)C(C)(C)C)CC1 Show InChI InChI=1S/C31H42ClN7O2/c1-31(2,3)27(41)22-38-18-20-39(21-19-38)30-35-28(33-16-15-24-9-13-26(40)14-10-24)34-29(36-30)37(4)17-5-6-23-7-11-25(32)12-8-23/h7-14,40H,5-6,15-22H2,1-4H3,(H,33,34,35,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	210	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))	BDBM50121617 (1-(4-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...) Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC(=O)C(C)(C)C)CC1 Show InChI InChI=1S/C31H42ClN7O2/c1-31(2,3)27(41)22-38-18-20-39(21-19-38)30-35-28(33-16-15-24-9-13-26(40)14-10-24)34-29(36-30)37(4)17-5-6-23-7-11-25(32)12-8-23/h7-14,40H,5-6,15-22H2,1-4H3,(H,33,34,35,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.03E+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