null

SMILES: Nc1ncnc2n(CC3(CCNCC3)C#N)nc(-c3ccc4cc(OC(F)F)ccc4c3)c12

InChI Key: InChIKey=HMJBZMXDHFNOSP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 416633   

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)	BDBM416633 (4-((4-amino-3-(6-(difluoromethoxy)naphthalen-2-yl)...) Show SMILES Nc1ncnc2n(CC3(CCNCC3)C#N)nc(-c3ccc4cc(OC(F)F)ccc4c3)c12 Show InChI InChI=1S/C23H21F2N7O/c24-22(25)33-17-4-3-14-9-16(2-1-15(14)10-17)19-18-20(27)29-13-30-21(18)32(31-19)12-23(11-26)5-7-28-8-6-23/h1-4,9-10,13,22,28H,5-8,12H2,(H2,27,29,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	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))	BDBM416633 (4-((4-amino-3-(6-(difluoromethoxy)naphthalen-2-yl)...) Show SMILES Nc1ncnc2n(CC3(CCNCC3)C#N)nc(-c3ccc4cc(OC(F)F)ccc4c3)c12 Show InChI InChI=1S/C23H21F2N7O/c24-22(25)33-17-4-3-14-9-16(2-1-15(14)10-17)19-18-20(27)29-13-30-21(18)32(31-19)12-23(11-26)5-7-28-8-6-23/h1-4,9-10,13,22,28H,5-8,12H2,(H2,27,29,30)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	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