Found 2 hits Enz. Inhib. hit(s) with Target = 'Calcium-dependent protein kinase 1' and Ligand = 'BDBM36344' 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 |
Calcium-dependent protein kinase 1
(Plasmodium Falciparum) | BDBM36344
(CID24762174 | {3-[2-trans-(4-Amino-cyclohexylamino...)Show SMILES CN1CCN(CC1)C(=O)c1cccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)-c2ccccc2)c1 |r,wU:19.19,wD:22.23,(9.34,5.7,;8,4.93,;8,3.39,;6.67,2.62,;5.33,3.39,;5.33,4.93,;6.67,5.7,;4,2.62,;4,1.08,;2.67,3.39,;2.67,4.93,;1.33,5.7,;,4.93,;,3.39,;-1.33,2.62,;-1.33,1.08,;-2.67,.31,;-2.67,-1.23,;-4,-2,;-5.33,-1.23,;-6.67,-2,;-8,-1.23,;-8,.31,;-9.34,1.08,;-6.67,1.08,;-5.33,.31,;-1.33,-2,;,-1.23,;1.46,-1.7,;2.37,-.46,;1.46,.79,;,.31,;2.23,-3.04,;1.46,-4.37,;2.23,-5.7,;3.77,-5.7,;4.54,-4.37,;3.77,-3.04,;1.33,2.62,)| Show InChI InChI=1S/C29H35N9O/c1-36-14-16-37(17-15-36)28(39)20-6-5-7-23(18-20)32-26-25-27(38(19-31-25)24-8-3-2-4-9-24)35-29(34-26)33-22-12-10-21(30)11-13-22/h2-9,18-19,21-22H,10-17,30H2,1H3,(H2,32,33,34,35)/t21-,22- | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.87E+3 | n/a | n/a | n/a | n/a | 7.5 | 24 |
The Scripps Research Institute
| Assay Description The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft... |
Nat Chem Biol 4: 347-56 (2008)
Article DOI: 10.1038/nchembio.87 BindingDB Entry DOI: 10.7270/Q2TB1573 |
More data for this Ligand-Target Pair | |
Calcium-dependent protein kinase 1
(Plasmodium Falciparum) | BDBM36344
(CID24762174 | {3-[2-trans-(4-Amino-cyclohexylamino...)Show SMILES CN1CCN(CC1)C(=O)c1cccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)-c2ccccc2)c1 |r,wU:19.19,wD:22.23,(9.34,5.7,;8,4.93,;8,3.39,;6.67,2.62,;5.33,3.39,;5.33,4.93,;6.67,5.7,;4,2.62,;4,1.08,;2.67,3.39,;2.67,4.93,;1.33,5.7,;,4.93,;,3.39,;-1.33,2.62,;-1.33,1.08,;-2.67,.31,;-2.67,-1.23,;-4,-2,;-5.33,-1.23,;-6.67,-2,;-8,-1.23,;-8,.31,;-9.34,1.08,;-6.67,1.08,;-5.33,.31,;-1.33,-2,;,-1.23,;1.46,-1.7,;2.37,-.46,;1.46,.79,;,.31,;2.23,-3.04,;1.46,-4.37,;2.23,-5.7,;3.77,-5.7,;4.54,-4.37,;3.77,-3.04,;1.33,2.62,)| Show InChI InChI=1S/C29H35N9O/c1-36-14-16-37(17-15-36)28(39)20-6-5-7-23(18-20)32-26-25-27(38(19-31-25)24-8-3-2-4-9-24)35-29(34-26)33-22-12-10-21(30)11-13-22/h2-9,18-19,21-22H,10-17,30H2,1H3,(H2,32,33,34,35)/t21-,22- | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a | 7.5 | 24 |
The Scripps Research Institute
| Assay Description This parasite proliferation assay, a modification of published DNA intercalating fluorescent dye-based assay, was adapted to 384-well plate format an... |
Nat Chem Biol 4: 347-56 (2008)
Article DOI: 10.1038/nchembio.87 BindingDB Entry DOI: 10.7270/Q2TB1573 |
More data for this Ligand-Target Pair | |