BDBM50121596 4-(2-{4-[3-(4-Chloro-phenyl)-propylamino]-6-piperazin-1-yl-[1,3,5]triazin-2-ylamino}-ethyl)-phenol::CHEMBL153709

SMILES: Oc1ccc(CCNc2nc(NCCCc3ccc(Cl)cc3)nc(n2)N2CCNCC2)cc1

InChI Key: InChIKey=AEXKCVYSHOYUNV-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 = 50121596   

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))	BDBM50121596 (4-(2-{4-[3-(4-Chloro-phenyl)-propylamino]-6-pipera...) Show SMILES Oc1ccc(CCNc2nc(NCCCc3ccc(Cl)cc3)nc(n2)N2CCNCC2)cc1 Show InChI InChI=1S/C24H30ClN7O/c25-20-7-3-18(4-8-20)2-1-12-27-22-29-23(28-13-11-19-5-9-21(33)10-6-19)31-24(30-22)32-16-14-26-15-17-32/h3-10,26,33H,1-2,11-17H2,(H2,27,28,29,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	55	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))	BDBM50121596 (4-(2-{4-[3-(4-Chloro-phenyl)-propylamino]-6-pipera...) Show SMILES Oc1ccc(CCNc2nc(NCCCc3ccc(Cl)cc3)nc(n2)N2CCNCC2)cc1 Show InChI InChI=1S/C24H30ClN7O/c25-20-7-3-18(4-8-20)2-1-12-27-22-29-23(28-13-11-19-5-9-21(33)10-6-19)31-24(30-22)32-16-14-26-15-17-32/h3-10,26,33H,1-2,11-17H2,(H2,27,28,29,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	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