Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Calmodulin-domain protein kinase 1' and Ligand = 'BDBM50148643'   

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)	BDBM50148643 (CHEMBL3770340 | US9518026, Example 51 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C(C)CO)c(N)c1C(N)=O Show InChI InChI=1S/C18H21N5O3/c1-3-26-13-5-4-11-6-12(8-21-14(11)7-13)16-15(18(20)25)17(19)23(22-16)10(2)9-24/h4-8,10,24H,3,9,19H2,1-2H3,(H2,20,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	20	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)	BDBM50148643 (CHEMBL3770340 | US9518026, Example 51 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C(C)CO)c(N)c1C(N)=O Show InChI InChI=1S/C18H21N5O3/c1-3-26-13-5-4-11-6-12(8-21-14(11)7-13)16-15(18(20)25)17(19)23(22-16)10(2)9-24/h4-8,10,24H,3,9,19H2,1-2H3,(H2,20,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	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)	BDBM50148643 (CHEMBL3770340 | US9518026, Example 51 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C(C)CO)c(N)c1C(N)=O Show InChI InChI=1S/C18H21N5O3/c1-3-26-13-5-4-11-6-12(8-21-14(11)7-13)16-15(18(20)25)17(19)23(22-16)10(2)9-24/h4-8,10,24H,3,9,19H2,1-2H3,(H2,20,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	80	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