BDBM50148729 CHEMBL3770923::US9518026, Example 66::US9956214, Compound 1565

SMILES: CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(OC(F)(F)F)ccc2c1

InChI Key: InChIKey=YJMHWCFTOAMRPN-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50148729   

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 (CDPK1) (Toxoplasma gondii)	BDBM50148729 (CHEMBL3770923 | US9518026, Example 66 | US9956214,...) Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(OC(F)(F)F)ccc2c1 Show InChI InChI=1S/C18H18F3N5O2/c1-17(2,3)26-15(22)13(16(23)27)14(25-26)10-6-9-4-5-11(28-18(19,20)21)7-12(9)24-8-10/h4-8H,22H2,1-3H3,(H2,23,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii CDPK1 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1) (Toxoplasma gondii)	BDBM50148729 (CHEMBL3770923 | US9518026, Example 66 | US9956214,...) Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(OC(F)(F)F)ccc2c1 Show InChI InChI=1S/C18H18F3N5O2/c1-17(2,3)26-15(22)13(16(23)27)14(25-26)10-6-9-4-5-11(28-18(19,20)21)7-12(9)24-8-10/h4-8H,22H2,1-3H3,(H2,23,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center For Commercialization US Patent					Assay Description Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...				US Patent US9518026 (2016) BindingDB Entry DOI: 10.7270/Q2BV7JN4
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 1 (CDPK1) (Cryptosporidium parvum)	BDBM50148729 (CHEMBL3770923 | US9518026, Example 66 | US9956214,...) Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(OC(F)(F)F)ccc2c1 Show InChI InChI=1S/C18H18F3N5O2/c1-17(2,3)26-15(22)13(16(23)27)14(25-26)10-6-9-4-5-11(28-18(19,20)21)7-12(9)24-8-10/h4-8H,22H2,1-3H3,(H2,23,27)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd.					Assay Description Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...				Bioorg Med Chem Lett 19: 1199-205 (2009) BindingDB Entry DOI: 10.7270/Q23J3G91
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1) (Toxoplasma gondii)	BDBM50148729 (CHEMBL3770923 | US9518026, Example 66 | US9956214,...) Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(OC(F)(F)F)ccc2c1 Show InChI InChI=1S/C18H18F3N5O2/c1-17(2,3)26-15(22)13(16(23)27)14(25-26)10-6-9-4-5-11(28-18(19,20)21)7-12(9)24-8-10/h4-8H,22H2,1-3H3,(H2,23,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd.					Assay Description Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...				Bioorg Med Chem Lett 19: 1199-205 (2009) BindingDB Entry DOI: 10.7270/Q23J3G91
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase (CDPK1) (Cryptosporidium parvum)	BDBM50148729 (CHEMBL3770923 | US9518026, Example 66 | US9956214,...) Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(OC(F)(F)F)ccc2c1 Show InChI InChI=1S/C18H18F3N5O2/c1-17(2,3)26-15(22)13(16(23)27)14(25-26)10-6-9-4-5-11(28-18(19,20)21)7-12(9)24-8-10/h4-8H,22H2,1-3H3,(H2,23,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center For Commercialization US Patent					Assay Description Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...				US Patent US9518026 (2016) BindingDB Entry DOI: 10.7270/Q2BV7JN4
					More data for this Ligand-Target Pair