Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50454057'   

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))	BDBM50454057 (CHEMBL4218272) Show SMILES CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2cc3ccccc3n2Cc2ccccc2)C(=O)CC(C)(C)C1 |c:6,11| Show InChI InChI=1S/C32H33NO3/c1-31(2)15-24(34)29-26(17-31)36-27-18-32(3,4)16-25(35)30(27)28(29)23-14-21-12-8-9-13-22(21)33(23)19-20-10-6-5-7-11-20/h5-14,28H,15-19H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Displacement of Fluormone-tagged ES2 from human recombinant ERalpha after 2 hrs by fluorescence polarization assay				Bioorg Med Chem 26: 266-277 (2018) Article DOI: 10.1016/j.bmc.2017.11.040 BindingDB Entry DOI: 10.7270/Q2K64MNF
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