BDBM50121633 4-[2-(4-{[3-(2-Chloro-phenyl)-propyl]-methyl-amino}-6-piperazin-1-yl-[1,3,5]triazin-2-ylamino)-ethyl]-phenol::CHEMBL346215

SMILES: CN(CCCc1ccccc1Cl)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1

InChI Key: InChIKey=XWMDKLJFXDGCDU-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 = 50121633   

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))	BDBM50121633 (4-[2-(4-{[3-(2-Chloro-phenyl)-propyl]-methyl-amino...) Show SMILES CN(CCCc1ccccc1Cl)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1 Show InChI InChI=1S/C25H32ClN7O/c1-32(16-4-6-20-5-2-3-7-22(20)26)24-29-23(28-13-12-19-8-10-21(34)11-9-19)30-25(31-24)33-17-14-27-15-18-33/h2-3,5,7-11,27,34H,4,6,12-18H2,1H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	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))	BDBM50121633 (4-[2-(4-{[3-(2-Chloro-phenyl)-propyl]-methyl-amino...) Show SMILES CN(CCCc1ccccc1Cl)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1 Show InChI InChI=1S/C25H32ClN7O/c1-32(16-4-6-20-5-2-3-7-22(20)26)24-29-23(28-13-12-19-8-10-21(34)11-9-19)30-25(31-24)33-17-14-27-15-18-33/h2-3,5,7-11,27,34H,4,6,12-18H2,1H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	680	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