Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50138886'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor (Homo sapiens (Human))	BDBM50138886 (2,4-diisobutylamino-6-isopentylpyrimidine | CHEMBL...) Show SMILES CC(C)CCc1cc(NCC(C)C)nc(NCC(C)C)n1 Show InChI InChI=1S/C17H32N4/c1-12(2)7-8-15-9-16(18-10-13(3)4)21-17(20-15)19-11-14(5)6/h9,12-14H,7-8,10-11H2,1-6H3,(H2,18,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity to ERalpha (unknown origin) assessed as inhibition of fluorescein-labeled nuclear receptor domain of steroid receptor coactivator 3 ...				J Med Chem 51: 6512-30 (2008) Article DOI: 10.1021/jm800698b BindingDB Entry DOI: 10.7270/Q2KD1XRF
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50138886 (2,4-diisobutylamino-6-isopentylpyrimidine | CHEMBL...) Show SMILES CC(C)CCc1cc(NCC(C)C)nc(NCC(C)C)n1 Show InChI InChI=1S/C17H32N4/c1-12(2)7-8-15-9-16(18-10-13(3)4)21-17(20-15)19-11-14(5)6/h9,12-14H,7-8,10-11H2,1-6H3,(H2,18,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity to ERalpha (unknown origin) assessed as inhibition of steroid receptor coactivator 2 interaction by fluorescence polarization assay				J Med Chem 51: 6512-30 (2008) Article DOI: 10.1021/jm800698b BindingDB Entry DOI: 10.7270/Q2KD1XRF
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50138886 (2,4-diisobutylamino-6-isopentylpyrimidine | CHEMBL...) Show SMILES CC(C)CCc1cc(NCC(C)C)nc(NCC(C)C)n1 Show InChI InChI=1S/C17H32N4/c1-12(2)7-8-15-9-16(18-10-13(3)4)21-17(20-15)19-11-14(5)6/h9,12-14H,7-8,10-11H2,1-6H3,(H2,18,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Shenzhen Graduate School Curated by ChEMBL					Assay Description Displacement of TMR-labelled ILRKLLQE peptide from His6-tagged ERalpha LBD (unknown origin) (304 to 554 residues) expressed in Escherichia coli BL21(...				Bioorg Med Chem Lett 28: 2827-2836 (2018) Article DOI: 10.1016/j.bmcl.2018.05.062 BindingDB Entry DOI: 10.7270/Q2M90CBB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50138886 (2,4-diisobutylamino-6-isopentylpyrimidine | CHEMBL...) Show SMILES CC(C)CCc1cc(NCC(C)C)nc(NCC(C)C)n1 Show InChI InChI=1S/C17H32N4/c1-12(2)7-8-15-9-16(18-10-13(3)4)21-17(20-15)19-11-14(5)6/h9,12-14H,7-8,10-11H2,1-6H3,(H2,18,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human HEC1 cells assessed as inhibition of estrogen-induced transcriptional activity after 24 hrs by reporter gene ...				J Med Chem 51: 6512-30 (2008) Article DOI: 10.1021/jm800698b BindingDB Entry DOI: 10.7270/Q2KD1XRF
					More data for this Ligand-Target Pair