BDBM50121626 4-(2-{4-[3-(4-Chloro-phenyl)-propylsulfanyl]-6-piperazin-1-yl-[1,3,5]triazin-2-ylamino}-ethyl)-phenol::4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL::CHEMBL346455

SMILES: c1cc(ccc1CCNc2nc(nc(n2)SCCCc3ccc(cc3)Cl)N4CCNCC4)O

InChI Key: InChIKey=AIBKIFHSQQYXLG-UHFFFAOYSA-N

Data: 2 KI  2 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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 5 hits for monomerid = 50121626   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor (Human)	BDBM50121626 (4-(2-{4-[3-(4-Chloro-phenyl)-propylsulfanyl]-6-pip...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
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Estrogen receptor beta (Human)	BDBM50121626 (4-(2-{4-[3-(4-Chloro-phenyl)-propylsulfanyl]-6-pip...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Estrogen receptor (Human)	BDBM50121626 (4-(2-{4-[3-(4-Chloro-phenyl)-propylsulfanyl]-6-pip...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Estrogen receptor beta (Human)	BDBM50121626 (4-(2-{4-[3-(4-Chloro-phenyl)-propylsulfanyl]-6-pip...) Show SMILES Show InChI	GoogleScholar	UniChem		15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Estrogen receptor (Human)	BDBM50121626 (4-(2-{4-[3-(4-Chloro-phenyl)-propylsulfanyl]-6-pip...) Show SMILES Show InChI	GoogleScholar	UniChem		160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair