Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50454048'   

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))	BDBM50454048 (CHEMBL4213826) Show SMILES CC1CC(=O)C2=C(C1)OC1=C(C2c2cc3ccccc3n2Cc2ccccc2)C(=O)CC(C)(C)C1 |c:5,10| Show InChI InChI=1S/C31H31NO3/c1-19-13-24(33)29-26(14-19)35-27-17-31(2,3)16-25(34)30(27)28(29)23-15-21-11-7-8-12-22(21)32(23)18-20-9-5-4-6-10-20/h4-12,15,19,28H,13-14,16-18H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.66E+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
					More data for this Ligand-Target Pair