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SMILES: CCCC(=O)Nc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C

InChI Key: InChIKey=YRYOEVHVROHLKR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 340936   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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)	BDBM340936 (N-(4-(4-amino-1-tert-butyl-1H-pyrazolo[3,4- d]pyri...) Show SMILES CCCC(=O)Nc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C Show InChI InChI=1S/C19H24N6O/c1-5-6-14(26)23-13-9-7-12(8-10-13)16-15-17(20)21-11-22-18(15)25(24-16)19(2,3)4/h7-11H,5-6H2,1-4H3,(H,23,26)(H2,20,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	68.4	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
Calcium-dependent protein kinase 1 (Cryptosporidium parvum)	BDBM340936 (N-(4-(4-amino-1-tert-butyl-1H-pyrazolo[3,4- d]pyri...) Show SMILES CCCC(=O)Nc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C Show InChI InChI=1S/C19H24N6O/c1-5-6-14(26)23-13-9-7-12(8-10-13)16-15-17(20)21-11-22-18(15)25(24-16)19(2,3)4/h7-11H,5-6H2,1-4H3,(H,23,26)(H2,20,21,22)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	927	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calcium/calmodulin dependent protein kinase with a kinas domain and 4 calmodulin-like EF hands (Cryptosporidium parvum (strain Iowa II))	BDBM340936 (N-(4-(4-amino-1-tert-butyl-1H-pyrazolo[3,4- d]pyri...) Show SMILES CCCC(=O)Nc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C Show InChI InChI=1S/C19H24N6O/c1-5-6-14(26)23-13-9-7-12(8-10-13)16-15-17(20)21-11-22-18(15)25(24-16)19(2,3)4/h7-11H,5-6H2,1-4H3,(H,23,26)(H2,20,21,22)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	927	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1, putative (Cryptosporidium parvum (strain Iowa II))	BDBM340936 (N-(4-(4-amino-1-tert-butyl-1H-pyrazolo[3,4- d]pyri...) Show SMILES CCCC(=O)Nc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C Show InChI InChI=1S/C19H24N6O/c1-5-6-14(26)23-13-9-7-12(8-10-13)16-15-17(20)21-11-22-18(15)25(24-16)19(2,3)4/h7-11H,5-6H2,1-4H3,(H,23,26)(H2,20,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	927	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
cGMP-dependent protein kinase ()	BDBM340936 (N-(4-(4-amino-1-tert-butyl-1H-pyrazolo[3,4- d]pyri...) Show SMILES CCCC(=O)Nc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C Show InChI InChI=1S/C19H24N6O/c1-5-6-14(26)23-13-9-7-12(8-10-13)16-15-17(20)21-11-22-18(15)25(24-16)19(2,3)4/h7-11H,5-6H2,1-4H3,(H,23,26)(H2,20,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	68.4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM340936 (N-(4-(4-amino-1-tert-butyl-1H-pyrazolo[3,4- d]pyri...) Show SMILES CCCC(=O)Nc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C Show InChI InChI=1S/C19H24N6O/c1-5-6-14(26)23-13-9-7-12(8-10-13)16-15-17(20)21-11-22-18(15)25(24-16)19(2,3)4/h7-11H,5-6H2,1-4H3,(H,23,26)(H2,20,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	68.4	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