Found 5 hits Enz. Inhib. hit(s) with Target = 'Choline kinase alpha' and Ligand = 'BDBM50579728' 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 |
|---|
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50579728
(CHEMBL5089380)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1ccc(cc1)S(=O)(=O)C(F)(F)F |r,wU:10.11,13.18,(17,-3.93,;17.01,-5.47,;18.35,-6.24,;18.35,-7.79,;17.01,-8.56,;15.68,-7.79,;14.21,-8.26,;13.31,-7.01,;14.22,-5.77,;15.68,-6.25,;13.74,-9.73,;12.23,-10.03,;11.75,-11.49,;12.77,-12.64,;14.28,-12.33,;14.77,-10.86,;12.29,-14.11,;13.31,-15.26,;10.78,-14.42,;9.75,-13.27,;10.24,-11.81,;9.22,-10.66,;7.71,-10.98,;7.23,-12.45,;8.25,-13.59,;6.68,-9.82,;6.27,-8.33,;7.77,-8.72,;5.34,-10.59,;5.33,-12.13,;4.01,-9.8,;4,-11.35,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ChoKalpha (unknown origin) by HTS assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128310
BindingDB Entry DOI: 10.7270/Q27H1PFF |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50579728
(CHEMBL5089380)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1ccc(cc1)S(=O)(=O)C(F)(F)F |r,wU:10.11,13.18,(17,-3.93,;17.01,-5.47,;18.35,-6.24,;18.35,-7.79,;17.01,-8.56,;15.68,-7.79,;14.21,-8.26,;13.31,-7.01,;14.22,-5.77,;15.68,-6.25,;13.74,-9.73,;12.23,-10.03,;11.75,-11.49,;12.77,-12.64,;14.28,-12.33,;14.77,-10.86,;12.29,-14.11,;13.31,-15.26,;10.78,-14.42,;9.75,-13.27,;10.24,-11.81,;9.22,-10.66,;7.71,-10.98,;7.23,-12.45,;8.25,-13.59,;6.68,-9.82,;6.27,-8.33,;7.77,-8.72,;5.34,-10.59,;5.33,-12.13,;4.01,-9.8,;4,-11.35,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 384 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ChoKalpha (unknown origin) in presence of 44 uM ATP by HTS assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128310
BindingDB Entry DOI: 10.7270/Q27H1PFF |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50579728
(CHEMBL5089380)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1ccc(cc1)S(=O)(=O)C(F)(F)F |r,wU:10.11,13.18,(17,-3.93,;17.01,-5.47,;18.35,-6.24,;18.35,-7.79,;17.01,-8.56,;15.68,-7.79,;14.21,-8.26,;13.31,-7.01,;14.22,-5.77,;15.68,-6.25,;13.74,-9.73,;12.23,-10.03,;11.75,-11.49,;12.77,-12.64,;14.28,-12.33,;14.77,-10.86,;12.29,-14.11,;13.31,-15.26,;10.78,-14.42,;9.75,-13.27,;10.24,-11.81,;9.22,-10.66,;7.71,-10.98,;7.23,-12.45,;8.25,-13.59,;6.68,-9.82,;6.27,-8.33,;7.77,-8.72,;5.34,-10.59,;5.33,-12.13,;4.01,-9.8,;4,-11.35,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 479 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ChoKalpha (unknown origin) in presence of 133 uM ATP by HTS assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128310
BindingDB Entry DOI: 10.7270/Q27H1PFF |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50579728
(CHEMBL5089380)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1ccc(cc1)S(=O)(=O)C(F)(F)F |r,wU:10.11,13.18,(17,-3.93,;17.01,-5.47,;18.35,-6.24,;18.35,-7.79,;17.01,-8.56,;15.68,-7.79,;14.21,-8.26,;13.31,-7.01,;14.22,-5.77,;15.68,-6.25,;13.74,-9.73,;12.23,-10.03,;11.75,-11.49,;12.77,-12.64,;14.28,-12.33,;14.77,-10.86,;12.29,-14.11,;13.31,-15.26,;10.78,-14.42,;9.75,-13.27,;10.24,-11.81,;9.22,-10.66,;7.71,-10.98,;7.23,-12.45,;8.25,-13.59,;6.68,-9.82,;6.27,-8.33,;7.77,-8.72,;5.34,-10.59,;5.33,-12.13,;4.01,-9.8,;4,-11.35,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 831 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ChoKalpha (unknown origin) in presence of 400 uM ATP by HTS assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128310
BindingDB Entry DOI: 10.7270/Q27H1PFF |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50579728
(CHEMBL5089380)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1ccc(cc1)S(=O)(=O)C(F)(F)F |r,wU:10.11,13.18,(17,-3.93,;17.01,-5.47,;18.35,-6.24,;18.35,-7.79,;17.01,-8.56,;15.68,-7.79,;14.21,-8.26,;13.31,-7.01,;14.22,-5.77,;15.68,-6.25,;13.74,-9.73,;12.23,-10.03,;11.75,-11.49,;12.77,-12.64,;14.28,-12.33,;14.77,-10.86,;12.29,-14.11,;13.31,-15.26,;10.78,-14.42,;9.75,-13.27,;10.24,-11.81,;9.22,-10.66,;7.71,-10.98,;7.23,-12.45,;8.25,-13.59,;6.68,-9.82,;6.27,-8.33,;7.77,-8.72,;5.34,-10.59,;5.33,-12.13,;4.01,-9.8,;4,-11.35,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ChoKalpha (unknown origin) in presence of 1200 uM ATP by HTS assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128310
BindingDB Entry DOI: 10.7270/Q27H1PFF |
More data for this
Ligand-Target Pair | |
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