Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50253367'   

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))	BDBM50253367 (CHEMBL494491 | N2-Benzyl-N4-isobutyl-6-(3-methyl-b...) Show SMILES CC(C)CCc1cc(NCC(C)C)nc(NCc2ccccc2)n1 Show InChI InChI=1S/C20H30N4/c1-15(2)10-11-18-12-19(21-13-16(3)4)24-20(23-18)22-14-17-8-6-5-7-9-17/h5-9,12,15-16H,10-11,13-14H2,1-4H3,(H2,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90E+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))	BDBM50253367 (CHEMBL494491 | N2-Benzyl-N4-isobutyl-6-(3-methyl-b...) Show SMILES CC(C)CCc1cc(NCC(C)C)nc(NCc2ccccc2)n1 Show InChI InChI=1S/C20H30N4/c1-15(2)10-11-18-12-19(21-13-16(3)4)24-20(23-18)22-14-17-8-6-5-7-9-17/h5-9,12,15-16H,10-11,13-14H2,1-4H3,(H2,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+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