Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 317.3 BDBM340887

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

Found 6 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	koff s-1	kon M-1s-1	pH	Temp °C
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM340887 (1-isopropyl-3-(naphthalen-2-ylmethyl)-1H- pyrazolo...) Show SMILES CC(C)n1nc(Cc2ccc3ccccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C19H19N5/c1-12(2)24-19-17(18(20)21-11-22-19)16(23-24)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,11-12H,10H2,1-2H3,(H2,20,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	627	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
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM340887 (1-isopropyl-3-(naphthalen-2-ylmethyl)-1H- pyrazolo...) Show SMILES CC(C)n1nc(Cc2ccc3ccccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C19H19N5/c1-12(2)24-19-17(18(20)21-11-22-19)16(23-24)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,11-12H,10H2,1-2H3,(H2,20,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	627	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 ()	BDBM340887 (1-isopropyl-3-(naphthalen-2-ylmethyl)-1H- pyrazolo...) Show SMILES CC(C)n1nc(Cc2ccc3ccccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C19H19N5/c1-12(2)24-19-17(18(20)21-11-22-19)16(23-24)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,11-12H,10H2,1-2H3,(H2,20,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	627	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
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1, putative (Cryptosporidium parvum (strain Iowa II))	BDBM340887 (1-isopropyl-3-(naphthalen-2-ylmethyl)-1H- pyrazolo...) Show SMILES CC(C)n1nc(Cc2ccc3ccccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C19H19N5/c1-12(2)24-19-17(18(20)21-11-22-19)16(23-24)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,11-12H,10H2,1-2H3,(H2,20,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	953	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
Calcium/calmodulin dependent protein kinase with a kinas domain and 4 calmodulin-like EF hands (Cryptosporidium parvum (strain Iowa II))	BDBM340887 (1-isopropyl-3-(naphthalen-2-ylmethyl)-1H- pyrazolo...) Show SMILES CC(C)n1nc(Cc2ccc3ccccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C19H19N5/c1-12(2)24-19-17(18(20)21-11-22-19)16(23-24)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,11-12H,10H2,1-2H3,(H2,20,21,22)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	953	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
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 1 (Cryptosporidium parvum)	BDBM340887 (1-isopropyl-3-(naphthalen-2-ylmethyl)-1H- pyrazolo...) Show SMILES CC(C)n1nc(Cc2ccc3ccccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C19H19N5/c1-12(2)24-19-17(18(20)21-11-22-19)16(23-24)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,11-12H,10H2,1-2H3,(H2,20,21,22)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	953	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