BDBM50148633 CHEMBL3769697::US9518026, Example 42::US9956214, Compound 1591

SMILES: CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)(C)C)c(N)c1C(N)=O

InChI Key: InChIKey=YXMBIJKVPSHQMB-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 = 50148633   

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)	BDBM50148633 (CHEMBL3769697 | US9518026, Example 42 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)(C)C)c(N)c1C(N)=O Show InChI InChI=1S/C20H25N5O2/c1-5-27-14-7-6-12-8-13(10-23-15(12)9-14)17-16(19(22)26)18(21)25(24-17)11-20(2,3)4/h6-10H,5,11,21H2,1-4H3,(H2,22,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	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)	BDBM50148633 (CHEMBL3769697 | US9518026, Example 42 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)(C)C)c(N)c1C(N)=O Show InChI InChI=1S/C20H25N5O2/c1-5-27-14-7-6-12-8-13(10-23-15(12)9-14)17-16(19(22)26)18(21)25(24-17)11-20(2,3)4/h6-10H,5,11,21H2,1-4H3,(H2,22,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	28	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)	BDBM50148633 (CHEMBL3769697 | US9518026, Example 42 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)(C)C)c(N)c1C(N)=O Show InChI InChI=1S/C20H25N5O2/c1-5-27-14-7-6-12-8-13(10-23-15(12)9-14)17-16(19(22)26)18(21)25(24-17)11-20(2,3)4/h6-10H,5,11,21H2,1-4H3,(H2,22,26)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	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)	BDBM50148633 (CHEMBL3769697 | US9518026, Example 42 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)(C)C)c(N)c1C(N)=O Show InChI InChI=1S/C20H25N5O2/c1-5-27-14-7-6-12-8-13(10-23-15(12)9-14)17-16(19(22)26)18(21)25(24-17)11-20(2,3)4/h6-10H,5,11,21H2,1-4H3,(H2,22,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	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)	BDBM50148633 (CHEMBL3769697 | US9518026, Example 42 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)(C)C)c(N)c1C(N)=O Show InChI InChI=1S/C20H25N5O2/c1-5-27-14-7-6-12-8-13(10-23-15(12)9-14)17-16(19(22)26)18(21)25(24-17)11-20(2,3)4/h6-10H,5,11,21H2,1-4H3,(H2,22,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	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