Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chromatin remodeling regulator CECR2' and Ligand = 'BDBM50514890'   

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
Chromatin remodeling regulator CECR2 (Homo sapiens (Human))	BDBM50514890 (CHEMBL4537897) Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc3CN(CC(F)(F)F)CCc23)ccc1Br |r| Show InChI InChI=1S/C20H24BrF3N6O3S/c1-13-4-7-29(9-13)34(32,33)18-8-14(2-3-15(18)21)25-19(31)11-30-17-5-6-28(12-20(22,23)24)10-16(17)26-27-30/h2-3,8,13H,4-7,9-12H2,1H3,(H,25,31)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647-labeled GSK tracer from FLAG-6His-Tev-fused CECR2 (424 to 543 residue) (unknown origin) measured after 15 mins by TR-...				J Med Chem 63: 5212-5241 (2020) Article DOI: 10.1021/acs.jmedchem.0c00021 BindingDB Entry DOI: 10.7270/Q2RN3C7T
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