Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Calmodulin-domain protein kinase 1' and Ligand = 'BDBM50148646'   

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)	BDBM50148646 (CHEMBL3770662 | US9518026, Example 52 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)(C)O)c(N)c1C(N)=O Show InChI InChI=1S/C19H23N5O3/c1-4-27-13-6-5-11-7-12(9-22-14(11)8-13)16-15(18(21)25)17(20)24(23-16)10-19(2,3)26/h5-9,26H,4,10,20H2,1-3H3,(H2,21,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	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
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148646 (CHEMBL3770662 | US9518026, Example 52 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)(C)O)c(N)c1C(N)=O Show InChI InChI=1S/C19H23N5O3/c1-4-27-13-6-5-11-7-12(9-22-14(11)8-13)16-15(18(21)25)17(20)24(23-16)10-19(2,3)26/h5-9,26H,4,10,20H2,1-3H3,(H2,21,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	41	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)	BDBM50148646 (CHEMBL3770662 | US9518026, Example 52 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)(C)O)c(N)c1C(N)=O Show InChI InChI=1S/C19H23N5O3/c1-4-27-13-6-5-11-7-12(9-22-14(11)8-13)16-15(18(21)25)17(20)24(23-16)10-19(2,3)26/h5-9,26H,4,10,20H2,1-3H3,(H2,21,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	113	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