Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-citrate synthase' and Ligand = 'BDBM50234437'   

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
ATP-citrate synthase (Homo sapiens (Human))	BDBM50234437 (CHEMBL4061755) Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1cc2c(C(O)=O)c(C)oc2c2ccccc12 Show InChI InChI=1S/C22H19NO5S/c1-3-14-8-10-15(11-9-14)29(26,27)23-19-12-18-20(22(24)25)13(2)28-21(18)17-7-5-4-6-16(17)19/h4-12,23H,3H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate by ADP-Glo luminescence assay				Bioorg Med Chem Lett 27: 929-935 (2017) Article DOI: 10.1016/j.bmcl.2017.01.001 BindingDB Entry DOI: 10.7270/Q2MP55HS
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