Found 2 hits Enz. Inhib. hit(s) with Target = 'Calcium-dependent protein kinase 1' and Ligand = 'BDBM36341' 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) | BDBM36341
(CID24762171 | {4-[2-trans-(4-Amino-cyclohexylamino...)Show SMILES CCOc1ccc(cc1)-n1cnc2c(Nc3ccc(cc3)C(=O)N3CCCCC3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:32.34,wD:35.38,(7.51,-5.81,;6.75,-7.14,;5.21,-7.14,;4.44,-5.81,;2.9,-5.81,;2.13,-4.47,;2.9,-3.14,;4.44,-3.14,;5.21,-4.47,;2.13,-1.81,;3.03,-.56,;2.13,.69,;.67,.21,;-.67,.98,;-.67,2.52,;.67,3.29,;2,2.52,;3.33,3.29,;3.33,4.83,;2,5.6,;.67,4.83,;4.67,5.6,;4.67,7.14,;6,4.83,;6,3.29,;7.33,2.52,;8.67,3.29,;8.67,4.83,;7.33,5.6,;-2,.21,;-2,-1.33,;-3.33,-2.1,;-4.67,-1.33,;-6,-2.1,;-7.34,-1.33,;-7.34,.21,;-8.67,.98,;-6,.98,;-4.67,.21,;-.67,-2.1,;.67,-1.33,)| Show InChI InChI=1S/C31H38N8O2/c1-2-41-26-16-14-25(15-17-26)39-20-33-27-28(36-31(37-29(27)39)35-24-12-8-22(32)9-13-24)34-23-10-6-21(7-11-23)30(40)38-18-4-3-5-19-38/h6-7,10-11,14-17,20,22,24H,2-5,8-9,12-13,18-19,32H2,1H3,(H2,34,35,36,37)/t22-,24- | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 240 | 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) | BDBM36341
(CID24762171 | {4-[2-trans-(4-Amino-cyclohexylamino...)Show SMILES CCOc1ccc(cc1)-n1cnc2c(Nc3ccc(cc3)C(=O)N3CCCCC3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:32.34,wD:35.38,(7.51,-5.81,;6.75,-7.14,;5.21,-7.14,;4.44,-5.81,;2.9,-5.81,;2.13,-4.47,;2.9,-3.14,;4.44,-3.14,;5.21,-4.47,;2.13,-1.81,;3.03,-.56,;2.13,.69,;.67,.21,;-.67,.98,;-.67,2.52,;.67,3.29,;2,2.52,;3.33,3.29,;3.33,4.83,;2,5.6,;.67,4.83,;4.67,5.6,;4.67,7.14,;6,4.83,;6,3.29,;7.33,2.52,;8.67,3.29,;8.67,4.83,;7.33,5.6,;-2,.21,;-2,-1.33,;-3.33,-2.1,;-4.67,-1.33,;-6,-2.1,;-7.34,-1.33,;-7.34,.21,;-8.67,.98,;-6,.98,;-4.67,.21,;-.67,-2.1,;.67,-1.33,)| Show InChI InChI=1S/C31H38N8O2/c1-2-41-26-16-14-25(15-17-26)39-20-33-27-28(36-31(37-29(27)39)35-24-12-8-22(32)9-13-24)34-23-10-6-21(7-11-23)30(40)38-18-4-3-5-19-38/h6-7,10-11,14-17,20,22,24H,2-5,8-9,12-13,18-19,32H2,1H3,(H2,34,35,36,37)/t22-,24- | 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 | 535 | 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 | |