Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'CAM kinase, CDPK family TgCDPK1' and Ligand = 'BDBM416624'   

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))	BDBM416624 (3-((4-amino-3-(6-cyclopropoxynaphthalen-2-yl)-1H-p...) Show SMILES CN1CC(O)(Cn2nc(-c3ccc4cc(OC5CC5)ccc4c3)c3c(N)ncnc23)C1 Show InChI InChI=1S/C23H24N6O2/c1-28-10-23(30,11-28)12-29-22-19(21(24)25-13-26-22)20(27-29)16-3-2-15-9-18(31-17-6-7-17)5-4-14(15)8-16/h2-5,8-9,13,17,30H,6-7,10-12H2,1H3,(H2,24,25,26)	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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