Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Calmodulin-domain protein kinase 1' and Ligand = 'BDBM50148748'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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)	BDBM50148748 (CHEMBL3770200 | US9518026, Example 85 | US9956214,...) Show SMILES CC(C)COc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C Show InChI InChI=1S/C21H27N5O2/c1-12(2)11-28-15-7-6-13-8-14(10-24-16(13)9-15)18-17(20(23)27)19(22)26(25-18)21(3,4)5/h6-10,12H,11,22H2,1-5H3,(H2,23,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	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 (Toxoplasma gondii)	BDBM50148748 (CHEMBL3770200 | US9518026, Example 85 | US9956214,...) Show SMILES CC(C)COc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C Show InChI InChI=1S/C21H27N5O2/c1-12(2)11-28-15-7-6-13-8-14(10-24-16(13)9-15)18-17(20(23)27)19(22)26(25-18)21(3,4)5/h6-10,12H,11,22H2,1-5H3,(H2,23,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	86	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 (Toxoplasma gondii)	BDBM50148748 (CHEMBL3770200 | US9518026, Example 85 | US9956214,...) Show SMILES CC(C)COc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C Show InChI InChI=1S/C21H27N5O2/c1-12(2)11-28-15-7-6-13-8-14(10-24-16(13)9-15)18-17(20(23)27)19(22)26(25-18)21(3,4)5/h6-10,12H,11,22H2,1-5H3,(H2,23,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	181	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