Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'CAM kinase, CDPK family TgCDPK1' and Ligand = 'BDBM416563'   

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
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416563 (3-(6-cyclobutoxynaphthalen-2-yl)-1-((tetrahydro-2H...) Show SMILES Nc1ncnc2n(CC3CCOCC3)nc(-c3ccc4cc(OC5CCC5)ccc4c3)c12 Show InChI InChI=1S/C25H27N5O2/c26-24-22-23(29-30(25(22)28-15-27-24)14-16-8-10-31-11-9-16)19-5-4-18-13-21(7-6-17(18)12-19)32-20-2-1-3-20/h4-7,12-13,15-16,20H,1-3,8-11,14H2,(H2,26,27,28)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington US Patent					Assay Description Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...				US Patent US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
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