Found 304 hits with Last Name = 'jackson' and Initial = 'k' 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 |
|---|
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50050712
(CHEMBL3318007)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(15.61,-25.66,;14.11,-26.02,;13.05,-24.9,;13.67,-27.49,;14.73,-28.62,;14.29,-30.09,;12.8,-30.45,;11.74,-29.34,;12.83,-28.23,;13.22,-29.72,;12.18,-27.86,;11.12,-26.75,;9.63,-27.1,;9.19,-28.58,;7.69,-28.94,;6.63,-27.82,;7.06,-26.35,;8.56,-25.99,;9,-24.51,;7.25,-30.41,;8.2,-31.63,;7.32,-32.91,;5.84,-32.47,;4.53,-33.27,;3.18,-32.54,;3.14,-31,;1.79,-30.27,;4.45,-30.19,;5.8,-30.93,)| Show InChI InChI=1S/C20H19F2N5O2/c21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20(28)29/h5-10,15-16H,1-4H2,(H,23,24)(H,28,29)(H,25,26,27)/t9?,10?,15-,16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GSK3beta (unknown origin) |
J Med Chem 57: 6668-78 (2014)
Article DOI: 10.1021/jm5007275
BindingDB Entry DOI: 10.7270/Q2R21316 |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581560
(CHEMBL5090501)Show SMILES Fc1ccn(n1)[C@H]1C[C@@H](C1)c1cc(O[C@H]2C[C@H](C2)n2cccn2)ncn1 |r,wU:14.15,16.20,8.11,wD:6.6,(23.91,-32.68,;24.81,-31.43,;26.35,-31.43,;26.83,-29.97,;25.58,-29.06,;24.34,-29.97,;25.58,-27.52,;26.67,-26.43,;25.58,-25.35,;24.49,-26.43,;25.58,-23.81,;26.92,-23.04,;26.91,-21.49,;28.24,-20.72,;29.58,-21.48,;31.06,-21.07,;31.47,-22.56,;29.98,-22.96,;32.8,-23.32,;32.96,-24.85,;34.47,-25.16,;35.24,-23.83,;34.2,-22.68,;25.58,-20.73,;24.25,-21.5,;24.25,-23.04,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581564
(CHEMBL5092963)Show SMILES C1[C@@H](C[C@@H]1n1cccn1)Oc1cc(ncn1)N1CCO[C@H](C1)c1ccccc1 |r,wU:1.10,3.4,wD:20.25,(31.82,-5.44,;30.33,-5.86,;30.73,-7.33,;32.22,-6.93,;33.56,-7.7,;34.96,-7.06,;35.99,-8.2,;35.23,-9.54,;33.72,-9.22,;29,-5.09,;27.67,-5.87,;27.67,-7.42,;26.33,-8.19,;25,-7.42,;25,-5.87,;26.33,-5.1,;26.33,-9.73,;25,-10.48,;24.99,-12.02,;26.32,-12.8,;27.66,-12.03,;27.67,-10.48,;28.99,-12.8,;28.98,-14.34,;30.3,-15.12,;31.64,-14.35,;31.64,-12.81,;30.31,-12.04,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581561
(CHEMBL5075747)Show SMILES Fc1cnn(c1)[C@H]1C[C@@H](C1)c1cc(O[C@H]2C[C@H](C2)n2cccn2)ncn1 |r,wU:14.15,16.20,8.11,wD:6.6,(65.28,-33.26,;64.37,-32.01,;62.83,-32.01,;62.36,-30.55,;63.59,-29.64,;64.85,-30.55,;63.6,-28.1,;64.68,-27.02,;63.6,-25.94,;62.51,-27.02,;63.6,-24.4,;64.93,-23.62,;64.93,-22.07,;66.26,-21.3,;67.6,-22.06,;69.08,-21.65,;69.48,-23.14,;68,-23.54,;70.82,-23.9,;70.98,-25.43,;72.49,-25.74,;73.25,-24.41,;72.22,-23.27,;63.59,-21.31,;62.27,-22.08,;62.26,-23.63,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50150699
(3-(9-fluoro-2-(piperidine-1-carbonyl)-1,2,3,4-tetr...)Show SMILES Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4cnc5ccccn45)c(c1)c23)C(=O)N1CCCCC1 |t:11| Show InChI InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of GSK3beta (unknown origin) |
Drug Metab Dispos 41: 714-26 (2013)
Article DOI: 10.1124/dmd.112.048488
BindingDB Entry DOI: 10.7270/Q2FT8NS4 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50150699
(3-(9-fluoro-2-(piperidine-1-carbonyl)-1,2,3,4-tetr...)Show SMILES Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4cnc5ccccn45)c(c1)c23)C(=O)N1CCCCC1 |t:11| Show InChI InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of GSK3alpha (unknown origin) |
Drug Metab Dispos 41: 714-26 (2013)
Article DOI: 10.1124/dmd.112.048488
BindingDB Entry DOI: 10.7270/Q2FT8NS4 |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581562
(CHEMBL5081977)Show SMILES Clc1ccn(n1)[C@H]1C[C@@H](C1)c1cc(O[C@H]2C[C@H](C2)n2cccn2)ncn1 |r,wU:14.15,16.20,8.11,wD:6.6,(42.51,-33.26,;43.42,-32.01,;44.96,-32.01,;45.43,-30.55,;44.18,-29.64,;42.94,-30.55,;44.18,-28.1,;45.27,-27.02,;44.18,-25.94,;43.09,-27.02,;44.18,-24.4,;45.52,-23.62,;45.52,-22.07,;46.85,-21.3,;48.18,-22.06,;49.67,-21.65,;50.07,-23.14,;48.59,-23.54,;51.41,-23.9,;51.57,-25.43,;53.08,-25.74,;53.84,-24.41,;52.81,-23.27,;44.18,-21.31,;42.85,-22.08,;42.85,-23.63,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581563
(CHEMBL5093558) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM197160
(GNE-140 (6))Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)N[C@@](C1)(c1ccsc1)c1ccc(cc1)N1CCOCC1 |r,c:1| Show InChI InChI=1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,29H,10-13,15H2,(H,27,30)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
| Assay Description
LDHA, LDHB, LDHC, MDH1 and MDH2 enzymatic assays have been described in detail previously [Dragovich, P.S. et al, Bioorg. Med. Chem. Lett. 24:3764-37... |
Nat Chem Biol 12: 779-86 (2016)
Article DOI: 10.1038/nchembio.2143
BindingDB Entry DOI: 10.7270/Q2W95800 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581569
(CHEMBL5085396)Show SMILES C1[C@@H](C[C@@H]1c1ncco1)Oc1cc(ncn1)N1CCO[C@H](C1)c1ccccc1 |r,wU:1.10,3.4,wD:20.25,(10.83,-4.86,;9.34,-5.27,;9.74,-6.75,;11.23,-6.35,;12.57,-7.11,;12.73,-8.64,;14.23,-8.95,;15,-7.62,;13.96,-6.48,;8.01,-4.51,;6.67,-5.28,;6.68,-6.83,;5.34,-7.6,;4.01,-6.83,;4.01,-5.29,;5.34,-4.52,;5.34,-9.14,;4.01,-9.9,;4,-11.44,;5.33,-12.21,;6.67,-11.45,;6.68,-9.9,;8,-12.22,;7.98,-13.76,;9.31,-14.54,;10.65,-13.77,;10.65,-12.22,;9.32,-11.45,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
L-lactate dehydrogenase B chain
(Homo sapiens (Human)) | BDBM197160
(GNE-140 (6))Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)N[C@@](C1)(c1ccsc1)c1ccc(cc1)N1CCOCC1 |r,c:1| Show InChI InChI=1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,29H,10-13,15H2,(H,27,30)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
| Assay Description
LDHA, LDHB, LDHC, MDH1 and MDH2 enzymatic assays have been described in detail previously [Dragovich, P.S. et al, Bioorg. Med. Chem. Lett. 24:3764-37... |
Nat Chem Biol 12: 779-86 (2016)
Article DOI: 10.1038/nchembio.2143
BindingDB Entry DOI: 10.7270/Q2W95800 |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596133
(CHEMBL5081193)Show SMILES Fc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581566
(CHEMBL5079831) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581567
(CHEMBL5088572) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581565
(CHEMBL5091893) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596133
(CHEMBL5081193)Show SMILES Fc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581568
(CHEMBL5091423)Show SMILES C1[C@@H](C[C@@H]1n1ccnn1)Oc1cc(ncn1)N1CCO[C@H](C1)c1ccccc1 |r,wU:1.10,3.4,wD:20.25,(78.16,-44.31,;76.67,-44.72,;77.07,-46.2,;78.56,-45.79,;79.9,-46.56,;81.3,-45.92,;82.34,-47.06,;81.57,-48.4,;80.07,-48.09,;75.34,-43.95,;74.01,-44.73,;74.01,-46.28,;72.67,-47.05,;71.34,-46.28,;71.34,-44.74,;72.67,-43.97,;72.67,-48.59,;71.34,-49.35,;71.33,-50.88,;72.66,-51.66,;74,-50.89,;74.01,-49.35,;75.33,-51.67,;75.32,-53.21,;76.64,-53.98,;77.98,-53.22,;77.98,-51.67,;76.65,-50.9,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581570
(CHEMBL5082929)Show SMILES C1[C@@H](C[C@@H]1c1nnco1)Oc1cc(ncn1)N1CCO[C@H](C1)c1ccccc1 |r,wU:1.10,3.4,wD:20.25,(48.73,-5.5,;47.25,-5.91,;47.65,-7.39,;49.14,-6.99,;50.47,-7.75,;50.64,-9.28,;52.14,-9.59,;52.91,-8.25,;51.87,-7.11,;45.91,-5.14,;44.58,-5.92,;44.59,-7.47,;43.25,-8.24,;41.92,-7.47,;41.92,-5.93,;43.25,-5.16,;43.25,-9.78,;41.91,-10.54,;41.91,-12.07,;43.24,-12.85,;44.58,-12.08,;44.59,-10.54,;45.91,-12.86,;45.89,-14.4,;47.22,-15.17,;48.56,-14.41,;48.56,-12.86,;47.23,-12.09,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581571
(CHEMBL5084780)Show SMILES C1[C@@H](C[C@@H]1n1cccn1)Oc1cc(ncn1)[C@H]1C[C@@H](C1)n1cccn1 |r,wU:1.10,3.4,16.18,wD:18.23,(13.16,-20.32,;11.68,-20.73,;12.08,-22.21,;13.56,-21.8,;14.9,-22.57,;15.06,-24.09,;16.57,-24.41,;17.33,-23.07,;16.3,-21.93,;10.34,-19.96,;9.01,-20.74,;9.01,-22.29,;7.68,-23.06,;6.34,-22.29,;6.34,-20.74,;7.67,-19.97,;7.68,-24.6,;8.76,-25.68,;7.67,-26.77,;6.59,-25.68,;7.67,-28.31,;8.93,-29.21,;8.45,-30.68,;6.91,-30.68,;6.43,-29.21,)| | Reactome pathway
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TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596133
(CHEMBL5081193)Show SMILES Fc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1 | Reactome pathway
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581572
(CHEMBL5084384) | Reactome pathway
KEGG
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| PC cid
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UniChem
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596154
(CHEMBL5169448) | Reactome pathway
KEGG
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596133
(CHEMBL5081193)Show SMILES Fc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1 | Reactome pathway
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596133
(CHEMBL5081193)Show SMILES Fc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1 | Reactome pathway
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581573
(CHEMBL5084868)Show SMILES C1[C@@H](C[C@@H]1c1ccccc1)Oc1cc(ncn1)N1CCO[C@H](C1)c1ccccc1 |r,wU:1.11,3.4,wD:21.26,(60.2,-45.19,;58.72,-45.6,;59.12,-47.08,;60.61,-46.68,;61.94,-47.44,;61.94,-48.98,;63.27,-49.75,;64.61,-48.97,;64.59,-47.42,;63.26,-46.66,;57.38,-44.84,;56.05,-45.61,;56.06,-47.16,;54.72,-47.93,;53.38,-47.16,;53.39,-45.62,;54.72,-44.85,;54.72,-49.47,;53.38,-50.23,;53.38,-51.77,;54.71,-52.54,;56.05,-51.78,;56.05,-50.23,;57.38,-52.55,;57.36,-54.09,;58.69,-54.87,;60.03,-54.1,;60.03,-52.55,;58.7,-51.78,)| | Reactome pathway
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TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596133
(CHEMBL5081193)Show SMILES Fc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1 | Reactome pathway
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596133
(CHEMBL5081193)Show SMILES Fc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1 | Reactome pathway
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596176
(CHEMBL5185729)Show SMILES Fc1cncc(c1)-n1ccc(NC(=O)C2(CC2)c2c(F)cccc2F)n1 | Reactome pathway
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596163
(CHEMBL5206398) | Reactome pathway
KEGG
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596161
(CHEMBL5203823)Show SMILES Fc1cncc(c1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1 | Reactome pathway
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596133
(CHEMBL5081193)Show SMILES Fc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1 | Reactome pathway
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596146
(CHEMBL5204141) | Reactome pathway
KEGG
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596164
(CHEMBL5172768) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| PC cid
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UniChem
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596162
(CHEMBL5185644)Show SMILES Fc1ccc(cn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1 | Reactome pathway
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424917
(CHEMBL2311578)Show SMILES Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C27H28N4O3S2/c1-19-16-22(11-14-25(19)20-9-12-24(13-10-20)36(2,32)33)34-18-26-29-30-27(35-23-7-3-4-8-23)31(26)21-6-5-15-28-17-21/h5-6,9-17,23H,3-4,7-8,18H2,1-2H3 | PDB
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| PDB
Article
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424919
(CHEMBL2315422)Show SMILES Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C26H27N5O3S2/c1-18-15-21(10-13-24(18)19-8-11-23(12-9-19)36(27,32)33)34-17-25-29-30-26(35-22-6-2-3-7-22)31(25)20-5-4-14-28-16-20/h4-5,8-16,22H,2-3,6-7,17H2,1H3,(H2,27,32,33) | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596160
(CHEMBL5205200) | Reactome pathway
KEGG
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596145
(CHEMBL5199478)Show SMILES C[C@H](C(=O)Nc1ccn(n1)-c1ccccc1)c1ccccc1 |r| | Reactome pathway
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424939
(CHEMBL2315430)Show SMILES NC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C26H25N5O2S/c27-25(32)20-9-7-18(8-10-20)19-11-13-22(14-12-19)33-17-24-29-30-26(34-23-5-1-2-6-23)31(24)21-4-3-15-28-16-21/h3-4,7-16,23H,1-2,5-6,17H2,(H2,27,32) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this
Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424938
(CHEMBL2315431)Show SMILES CNC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C27H27N5O2S/c1-28-26(33)21-10-8-19(9-11-21)20-12-14-23(15-13-20)34-18-25-30-31-27(35-24-6-2-3-7-24)32(25)22-5-4-16-29-17-22/h4-5,8-17,24H,2-3,6-7,18H2,1H3,(H,28,33) | PDB
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| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596133
(CHEMBL5081193)Show SMILES Fc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1 | Reactome pathway
KEGG
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| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424942
(CHEMBL2315427)Show SMILES CONC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C27H27N5O3S/c1-34-31-26(33)21-10-8-19(9-11-21)20-12-14-23(15-13-20)35-18-25-29-30-27(36-24-6-2-3-7-24)32(25)22-5-4-16-28-17-22/h4-5,8-17,24H,2-3,6-7,18H2,1H3,(H,31,33) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this
Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424941
(CHEMBL2315428)Show SMILES OCC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C27H26N4O3S/c32-17-25(33)21-9-7-19(8-10-21)20-11-13-23(14-12-20)34-18-26-29-30-27(35-24-5-1-2-6-24)31(26)22-4-3-15-28-16-22/h3-4,7-16,24,32H,1-2,5-6,17-18H2 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596157
(CHEMBL5194186)Show SMILES COc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1 | Reactome pathway
KEGG
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424916
(CHEMBL2315424)Show SMILES CC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C Show InChI InChI=1S/C28H28N4O2S/c1-19-16-24(13-14-26(19)22-11-9-21(10-12-22)20(2)33)34-18-27-30-31-28(35-25-7-3-4-8-25)32(27)23-6-5-15-29-17-23/h5-6,9-17,25H,3-4,7-8,18H2,1-2H3 | PDB
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| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this
Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424918
(CHEMBL2315423)Show SMILES CNC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C Show InChI InChI=1S/C28H29N5O2S/c1-19-16-23(13-14-25(19)20-9-11-21(12-10-20)27(34)29-2)35-18-26-31-32-28(36-24-7-3-4-8-24)33(26)22-6-5-15-30-17-22/h5-6,9-17,24H,3-4,7-8,18H2,1-2H3,(H,29,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this
Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424920
(CHEMBL2315421)Show SMILES CONC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C Show InChI InChI=1S/C28H29N5O3S/c1-19-16-23(13-14-25(19)20-9-11-21(12-10-20)27(34)32-35-2)36-18-26-30-31-28(37-24-7-3-4-8-24)33(26)22-6-5-15-29-17-22/h5-6,9-17,24H,3-4,7-8,18H2,1-2H3,(H,32,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596135
(CHEMBL5190392) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581575
(CHEMBL5077819) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581574
(CHEMBL5080503) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
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