Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Calmodulin-domain protein kinase 1' and Ligand = 'BDBM50389693'   

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)	BDBM50389693 (CHEMBL2070059 | US10544104, Compound 44 | US112479...) Show SMILES CC(C)COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N6O/c1-16(2)14-32-21-6-5-18-11-20(4-3-19(18)12-21)23-22-24(26)28-15-29-25(22)31(30-23)13-17-7-9-27-10-8-17/h3-6,11-12,15-17,27H,7-10,13-14H2,1-2H3,(H2,26,28,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.70	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)	BDBM50389693 (CHEMBL2070059 | US10544104, Compound 44 | US112479...) Show SMILES CC(C)COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N6O/c1-16(2)14-32-21-6-5-18-11-20(4-3-19(18)12-21)23-22-24(26)28-15-29-25(22)31(30-23)13-17-7-9-27-10-8-17/h3-6,11-12,15-17,27H,7-10,13-14H2,1-2H3,(H2,26,28,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.70	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