Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Calmodulin-domain protein kinase 1' and Ligand = 'BDBM50345718'   

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)	BDBM50345718 (1-((1-ethylpiperidin-4-yl)methyl)-3-(naphthalen-1-...) Show SMILES CCN1CCC(Cn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C24H28N6/c1-2-29-12-10-17(11-13-29)15-30-24-22(23(25)26-16-27-24)21(28-30)14-19-8-5-7-18-6-3-4-9-20(18)19/h3-9,16-17H,2,10-15H2,1H3,(H2,25,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	269	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345718 (1-((1-ethylpiperidin-4-yl)methyl)-3-(naphthalen-1-...) Show SMILES CCN1CCC(Cn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C24H28N6/c1-2-29-12-10-17(11-13-29)15-30-24-22(23(25)26-16-27-24)21(28-30)14-19-8-5-7-18-6-3-4-9-20(18)19/h3-9,16-17H,2,10-15H2,1H3,(H2,25,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	269	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR CO 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 US10544104 (2020) BindingDB Entry DOI: 10.7270/Q2D79DSF
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345718 (1-((1-ethylpiperidin-4-yl)methyl)-3-(naphthalen-1-...) Show SMILES CCN1CCC(Cn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C24H28N6/c1-2-29-12-10-17(11-13-29)15-30-24-22(23(25)26-16-27-24)21(28-30)14-19-8-5-7-18-6-3-4-9-20(18)19/h3-9,16-17H,2,10-15H2,1H3,(H2,25,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR CO 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 US10544104 (2020) BindingDB Entry DOI: 10.7270/Q2D79DSF
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345718 (1-((1-ethylpiperidin-4-yl)methyl)-3-(naphthalen-1-...) Show SMILES CCN1CCC(Cn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C24H28N6/c1-2-29-12-10-17(11-13-29)15-30-24-22(23(25)26-16-27-24)21(28-30)14-19-8-5-7-18-6-3-4-9-20(18)19/h3-9,16-17H,2,10-15H2,1H3,(H2,25,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair