Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 371.4 BDBM340890

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

Found 4 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
cGMP-dependent protein kinase ()	BDBM340890 (1-(cyclohexylmethyl)-3-(naphthalen-1-ylmethyl)- 1H...) Show SMILES Nc1ncnc2n(CC3CCCCC3)nc(Cc3cccc4ccccc34)c12 Show InChI InChI=1S/C23H25N5/c24-22-21-20(13-18-11-6-10-17-9-4-5-12-19(17)18)27-28(23(21)26-15-25-22)14-16-7-2-1-3-8-16/h4-6,9-12,15-16H,1-3,7-8,13-14H2,(H2,24,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	980	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 (Toxoplasma gondii)	BDBM340890 (1-(cyclohexylmethyl)-3-(naphthalen-1-ylmethyl)- 1H...) Show SMILES Nc1ncnc2n(CC3CCCCC3)nc(Cc3cccc4ccccc34)c12 Show InChI InChI=1S/C23H25N5/c24-22-21-20(13-18-11-6-10-17-9-4-5-12-19(17)18)27-28(23(21)26-15-25-22)14-16-7-2-1-3-8-16/h4-6,9-12,15-16H,1-3,7-8,13-14H2,(H2,24,25,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	980	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))	BDBM340890 (1-(cyclohexylmethyl)-3-(naphthalen-1-ylmethyl)- 1H...) Show SMILES Nc1ncnc2n(CC3CCCCC3)nc(Cc3cccc4ccccc34)c12 Show InChI InChI=1S/C23H25N5/c24-22-21-20(13-18-11-6-10-17-9-4-5-12-19(17)18)27-28(23(21)26-15-25-22)14-16-7-2-1-3-8-16/h4-6,9-12,15-16H,1-3,7-8,13-14H2,(H2,24,25,26)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.55E+3	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)	BDBM340890 (1-(cyclohexylmethyl)-3-(naphthalen-1-ylmethyl)- 1H...) Show SMILES Nc1ncnc2n(CC3CCCCC3)nc(Cc3cccc4ccccc34)c12 Show InChI InChI=1S/C23H25N5/c24-22-21-20(13-18-11-6-10-17-9-4-5-12-19(17)18)27-28(23(21)26-15-25-22)14-16-7-2-1-3-8-16/h4-6,9-12,15-16H,1-3,7-8,13-14H2,(H2,24,25,26)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.55E+3	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