Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'CAM kinase, CDPK family TgCDPK1' and Ligand = 'BDBM416626'   

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))	BDBM416626 (3-((4-amino-3-(2-ethoxyquinolin-6-yl)-1H-pyrazolo[...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2(O)CNC2)c2ncnc(N)c12 Show InChI InChI=1S/C20H21N7O2/c1-2-29-15-6-4-12-7-13(3-5-14(12)25-15)17-16-18(21)23-11-24-19(16)27(26-17)10-20(28)8-22-9-20/h3-7,11,22,28H,2,8-10H2,1H3,(H2,21,23,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	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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