Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA repair protein complementing XP-A cells' and Ligand = 'BDBM50241704'   

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
DNA repair protein complementing XP-A cells (Homo sapiens)	BDBM50241704 (CHEMBL4060264) Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccccc1C(O)=O)c1cccc(c1)C(O)=O |t:1| Show InChI InChI=1S/C23H16N2O6/c1-13-19(21(26)25(24-13)15-6-4-5-14(11-15)22(27)28)12-16-9-10-20(31-16)17-7-2-3-8-18(17)23(29)30/h2-12H,1H3,(H,27,28)(H,29,30)/b19-12-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma				J Med Chem 60: 8055-8070 (2017) Article DOI: 10.1021/acs.jmedchem.7b00780 BindingDB Entry DOI: 10.7270/Q2FF3VJS
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