Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50309551'   

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))	BDBM50309551 (17alpha-(17-1,2,3-Triazolmethyl)ethynyl-estra-1,3,...) Show SMILES Cn1cc(nn1)[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C21H27N3O2/c1-20-9-7-16-15-6-4-14(25)11-13(15)3-5-17(16)18(20)8-10-21(20,26)19-12-24(2)23-22-19/h4,6,11-12,16-18,25-26H,3,5,7-10H2,1-2H3/t16-,17-,18+,20+,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERalpha by liquid scintillation counting				Bioorg Med Chem 18: 809-21 (2010) Article DOI: 10.1016/j.bmc.2009.11.046 BindingDB Entry DOI: 10.7270/Q28K797G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50309551 (17alpha-(17-1,2,3-Triazolmethyl)ethynyl-estra-1,3,...) Show SMILES Cn1cc(nn1)[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C21H27N3O2/c1-20-9-7-16-15-6-4-14(25)11-13(15)3-5-17(16)18(20)8-10-21(20,26)19-12-24(2)23-22-19/h4,6,11-12,16-18,25-26H,3,5,7-10H2,1-2H3/t16-,17-,18+,20+,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Estrogenic activity at ERalpha in human Ishikawa cells assessed as stimulation of alkaline phosphatase activity after 4 days by microplate scanning s...				Bioorg Med Chem 18: 809-21 (2010) Article DOI: 10.1016/j.bmc.2009.11.046 BindingDB Entry DOI: 10.7270/Q28K797G
					More data for this Ligand-Target Pair