Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'CAM kinase, CDPK family TgCDPK1' and Ligand = 'BDBM416565'   

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))	BDBM416565 (3-(4-amino-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazolo...) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC(C)(C)CO)c2ncnc(N)c12 Show InChI InChI=1S/C22H25N5O2/c1-4-29-17-8-7-14-9-16(6-5-15(14)10-17)19-18-20(23)24-13-25-21(18)27(26-19)11-22(2,3)12-28/h5-10,13,28H,4,11-12H2,1-3H3,(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	1.20	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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