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SMILES: CCOc1ccc2cc(ccc2n1)-c1nn(CC2(O)CCNCC2)c2ncnc(N)c12

InChI Key: InChIKey=JMHFIEVACDXMDP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 416617   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM416617 (4-((4-amino-3-(2-ethoxyquinolin-6-yl)-1H-pyrazolo[...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2(O)CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C22H25N7O2/c1-2-31-17-6-4-14-11-15(3-5-16(14)27-17)19-18-20(23)25-13-26-21(18)29(28-19)12-22(30)7-9-24-10-8-22/h3-6,11,13,24,30H,2,7-10,12H2,1H3,(H2,23,25,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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 US10632122 (2020) BindingDB Entry DOI: 10.7270/Q2M048G9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416617 (4-((4-amino-3-(2-ethoxyquinolin-6-yl)-1H-pyrazolo[...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2(O)CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C22H25N7O2/c1-2-31-17-6-4-14-11-15(3-5-16(14)27-17)19-18-20(23)25-13-26-21(18)29(28-19)12-22(30)7-9-24-10-8-22/h3-6,11,13,24,30H,2,7-10,12H2,1H3,(H2,23,25,26)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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
					More data for this Ligand-Target Pair