SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 281.3
BDBM50345730

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 9 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
cGMP-dependent protein kinase ()	BDBM50345730 (3-(3,4-dimethylphenyl)-1-isopropyl-1H-pyrazolo[3,4...) Show SMILES CC(C)n1nc(-c2ccc(C)c(C)c2)c2c(N)ncnc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077GQ
TBA					More data for this Ligand-Target Pair
cGMP-dependent protein kinase ()	BDBM50345730 (3-(3,4-dimethylphenyl)-1-isopropyl-1H-pyrazolo[3,4...) Show SMILES CC(C)n1nc(-c2ccc(C)c(C)c2)c2c(N)ncnc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kinase phosphorylation reactions were performed in a buffered medium containing 20 mM HEPES pH 7.5 (KOH), 0.1% BSA, 10 mM MgCl2, 1 mM EGTA (pH 7.2), ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077GQ
TBA					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345730 (3-(3,4-dimethylphenyl)-1-isopropyl-1H-pyrazolo[3,4...) Show SMILES CC(C)n1nc(-c2ccc(C)c(C)c2)c2c(N)ncnc12 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	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
University of Washington. Curated by ChEMBL					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345730 (3-(3,4-dimethylphenyl)-1-isopropyl-1H-pyrazolo[3,4...) Show SMILES CC(C)n1nc(-c2ccc(C)c(C)c2)c2c(N)ncnc12 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	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)	BDBM50345730 (3-(3,4-dimethylphenyl)-1-isopropyl-1H-pyrazolo[3,4...) Show SMILES CC(C)n1nc(-c2ccc(C)c(C)c2)c2c(N)ncnc12 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	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/calmodulin dependent protein kinase with a kinas domain and 4 calmodulin-like EF hands (Cryptosporidium parvum (strain Iowa II))	BDBM50345730 (3-(3,4-dimethylphenyl)-1-isopropyl-1H-pyrazolo[3,4...) Show SMILES CC(C)n1nc(-c2ccc(C)c(C)c2)c2c(N)ncnc12 Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kinase phosphorylation reactions were performed in a buffered medium containing 20 mM HEPES pH 7.5 (KOH), 0.1% BSA, 10 mM MgCl2, 1 mM EGTA (pH 7.2), ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077GQ
TBA					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))	BDBM50345730 (3-(3,4-dimethylphenyl)-1-isopropyl-1H-pyrazolo[3,4...) Show SMILES CC(C)n1nc(-c2ccc(C)c(C)c2)c2c(N)ncnc12 Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077GQ
TBA					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 1 (Cryptosporidium parvum)	BDBM50345730 (3-(3,4-dimethylphenyl)-1-isopropyl-1H-pyrazolo[3,4...) Show SMILES CC(C)n1nc(-c2ccc(C)c(C)c2)c2c(N)ncnc12 Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	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
Calmodulin-domain protein kinase 1, putative (Cryptosporidium parvum (strain Iowa II))	BDBM50345730 (3-(3,4-dimethylphenyl)-1-isopropyl-1H-pyrazolo[3,4...) Show SMILES CC(C)n1nc(-c2ccc(C)c(C)c2)c2c(N)ncnc12 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	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