Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'CAM kinase, CDPK family TgCDPK1' and Ligand = 'BDBM416571'   

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))	BDBM416571 (3-(2-(2-methoxyethoxy)quinolin-6-yl)-1-neopentyl-1...) Show SMILES COCCOc1ccc2cc(ccc2n1)-c1nn(CC(C)(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C22H26N6O2/c1-22(2,3)12-28-21-18(20(23)24-13-25-21)19(27-28)15-5-7-16-14(11-15)6-8-17(26-16)30-10-9-29-4/h5-8,11,13H,9-10,12H2,1-4H3,(H2,23,24,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80	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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