Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Calmodulin-domain protein kinase 1' and Ligand = 'BDBM340888'   

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)	BDBM340888 (3-(naphthalen-1-ylmethyl)-1-(tetrahydro-2H- pyran-...) Show SMILES Nc1ncnc2n(nc(Cc3cccc4ccccc34)c12)C1CCOCC1 Show InChI InChI=1S/C21H21N5O/c22-20-19-18(12-15-6-3-5-14-4-1-2-7-17(14)15)25-26(21(19)24-13-23-20)16-8-10-27-11-9-16/h1-7,13,16H,8-12H2,(H2,22,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	149	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)	BDBM340888 (3-(naphthalen-1-ylmethyl)-1-(tetrahydro-2H- pyran-...) Show SMILES Nc1ncnc2n(nc(Cc3cccc4ccccc34)c12)C1CCOCC1 Show InChI InChI=1S/C21H21N5O/c22-20-19-18(12-15-6-3-5-14-4-1-2-7-17(14)15)25-26(21(19)24-13-23-20)16-8-10-27-11-9-16/h1-7,13,16H,8-12H2,(H2,22,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	149	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