SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 443.9
BDBM50389699

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

Found 7 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
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50389699 (CHEMBL2070066 \| US10544104, Compound 47 \| US112479...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	5.5	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				3D Structure (crystal)
cGMP-dependent protein kinase ()	BDBM50389699 (CHEMBL2070066 \| US10544104, Compound 47 \| US112479...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	5.5	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
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50389699 (CHEMBL2070066 \| US10544104, Compound 47 \| US112479...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	5.5	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				3D Structure (crystal)
Calcium/calmodulin dependent protein kinase with a kinas domain and 4 calmodulin-like EF hands (Cryptosporidium parvum (strain Iowa II))	BDBM50389699 (CHEMBL2070066 \| US10544104, Compound 47 \| US112479...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	272	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)	BDBM50389699 (CHEMBL2070066 \| US10544104, Compound 47 \| US112479...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	272	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))	BDBM50389699 (CHEMBL2070066 \| US10544104, Compound 47 \| US112479...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	272	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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50389699 (CHEMBL2070066 \| US10544104, Compound 47 \| US112479...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC using Ac-EIYGEFKKK-OH as substrate after 60 mins by phosphorimaging method				J Med Chem 55: 2416-26 (2012) Article DOI: 10.1021/jm201713h BindingDB Entry DOI: 10.7270/Q2P2706V
University of Washington Curated by ChEMBL					More data for this Ligand-Target Pair