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SMILES: CN1CCC(Cn2nc(-c3ccc4cc(OCC(C)(C)O)ccc4c3)c3c(N)ncnc23)CC1

InChI Key: InChIKey=RXTBOWBIOOJHHA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 416548   

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
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416548 (US10307425, Example 14 | US10632122, Example 14) Show SMILES CN1CCC(Cn2nc(-c3ccc4cc(OCC(C)(C)O)ccc4c3)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C26H32N6O2/c1-26(2,33)15-34-21-7-6-18-12-20(5-4-19(18)13-21)23-22-24(27)28-16-29-25(22)32(30-23)14-17-8-10-31(3)11-9-17/h4-7,12-13,16-17,33H,8-11,14-15H2,1-3H3,(H2,27,28,29)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24.2	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
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM416548 (US10307425, Example 14 | US10632122, Example 14) Show SMILES CN1CCC(Cn2nc(-c3ccc4cc(OCC(C)(C)O)ccc4c3)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C26H32N6O2/c1-26(2,33)15-34-21-7-6-18-12-20(5-4-19(18)13-21)23-22-24(27)28-16-29-25(22)32(30-23)14-17-8-10-31(3)11-9-17/h4-7,12-13,16-17,33H,8-11,14-15H2,1-3H3,(H2,27,28,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM416548 (US10307425, Example 14 | US10632122, Example 14) Show SMILES CN1CCC(Cn2nc(-c3ccc4cc(OCC(C)(C)O)ccc4c3)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C26H32N6O2/c1-26(2,33)15-34-21-7-6-18-12-20(5-4-19(18)13-21)23-22-24(27)28-16-29-25(22)32(30-23)14-17-8-10-31(3)11-9-17/h4-7,12-13,16-17,33H,8-11,14-15H2,1-3H3,(H2,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of chicken Src using AcEIYGEFKKK as substrate after 90 mins in presence of ATP by luciferase reporter gene assay				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM416548 (US10307425, Example 14 | US10632122, Example 14) Show SMILES CN1CCC(Cn2nc(-c3ccc4cc(OCC(C)(C)O)ccc4c3)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C26H32N6O2/c1-26(2,33)15-34-21-7-6-18-12-20(5-4-19(18)13-21)23-22-24(27)28-16-29-25(22)32(30-23)14-17-8-10-31(3)11-9-17/h4-7,12-13,16-17,33H,8-11,14-15H2,1-3H3,(H2,27,28,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24.2	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