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Compile Data Set for Download or QSAR

Found 147 hits with Last Name = 'bonanno' and Initial = 'kc'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Elongation of very long chain fatty acids protein 1


(Homo sapiens (Human))
BDBM50596133
PNG
(CHEMBL5081193)
Show SMILES Fc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1
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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
PNG
(CHEMBL5081193)
Show SMILES Fc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1
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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
PNG
(CHEMBL5081193)
Show SMILES Fc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1
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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))
BDBM50596154
PNG
(CHEMBL5169448)
Show SMILES Fc1ccccc1C1(CC1)C(=O)Nc1ccn(n1)-c1ccccc1
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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
PNG
(CHEMBL5081193)
Show SMILES Fc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1
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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
PNG
(CHEMBL5081193)
Show SMILES Fc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1
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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
PNG
(CHEMBL5081193)
Show SMILES Fc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1
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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
PNG
(CHEMBL5081193)
Show SMILES Fc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1
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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
PNG
(CHEMBL5185729)
Show SMILES Fc1cncc(c1)-n1ccc(NC(=O)C2(CC2)c2c(F)cccc2F)n1
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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
PNG
(CHEMBL5206398)
Show SMILES Fc1ccccc1C1(CC1)C(=O)Nc1ccn(n1)-c1ncns1
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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
PNG
(CHEMBL5203823)
Show SMILES Fc1cncc(c1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1
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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
PNG
(CHEMBL5204141)
Show SMILES O=C(Nc1ccn(n1)-c1ccccc1)C1(CC1)c1ccccc1
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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
PNG
(CHEMBL5081193)
Show SMILES Fc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1
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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
PNG
(CHEMBL5172768)
Show SMILES Fc1cncc(c1)-n1ccc(NC(=O)C2(CC2)c2ccccc2)n1
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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
PNG
(CHEMBL5185644)
Show SMILES Fc1ccc(cn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1
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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))
BDBM50596160
PNG
(CHEMBL5205200)
Show SMILES Fc1ccccc1C1(CC1)C(=O)Nc1ccn(n1)-c1ccncn1
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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
PNG
(CHEMBL5199478)
Show SMILES C[C@H](C(=O)Nc1ccn(n1)-c1ccccc1)c1ccccc1 |r|
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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
PNG
(CHEMBL5081193)
Show SMILES Fc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1
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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))
BDBM50596157
PNG
(CHEMBL5194186)
Show SMILES COc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1
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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))
BDBM50596135
PNG
(CHEMBL5190392)
Show SMILES Fc1ccccc1CC(=O)Nc1ccn(n1)-c1ccccc1
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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))
BDBM50596143
PNG
(CHEMBL5200554)
Show SMILES O=C(Cc1ccccc1)Nc1ccn(n1)-c1ccccc1
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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))
BDBM50596155
PNG
(CHEMBL5174762)
Show SMILES Fc1ccccc1C1(CC1)C(=O)Nc1ccn(n1)-c1ccncc1
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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))
BDBM50596172
PNG
(CHEMBL5204609)
Show SMILES Fc1ccc(cc1)C1(CC1)C(=O)Nc1ccn(n1)-c1cncc(F)c1
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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))
BDBM50596165
PNG
(CHEMBL5202816)
Show SMILES Fc1cncc(c1)-n1ccc(NC(=O)C2(CC2)c2ccccc2Cl)n1
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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))
BDBM50596175
PNG
(CHEMBL5192322)
Show SMILES Fc1cncc(c1)-n1ccc(NC(=O)C2(CC2)c2ccc(cc2)C#N)n1
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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))
BDBM50596177
PNG
(CHEMBL5188173)
Show SMILES Fc1cncc(c1)-n1ccc(NC(=O)C2(CC2)c2cccc(F)c2F)n1
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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))
BDBM50596150
PNG
(CHEMBL5182190)
Show SMILES FC1(F)CC1(C(=O)Nc1ccn(n1)-c1ccccc1)c1ccccc1
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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))
BDBM50596178
PNG
(CHEMBL5202203)
Show SMILES Fc1ccc(F)c(c1)C1(CC1)C(=O)Nc1ccn(n1)-c1cncc(F)c1
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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))
BDBM50596170
PNG
(CHEMBL5200718)
Show SMILES COc1cccc(c1)C1(CC1)C(=O)Nc1ccn(n1)-c1cncc(F)c1
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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))
BDBM50596169
PNG
(CHEMBL5190417)
Show SMILES Fc1cccc(c1)C1(CC1)C(=O)Nc1ccn(n1)-c1cncc(F)c1
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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))
BDBM50596144
PNG
(CHEMBL5194918)
Show SMILES C[C@@H](C(=O)Nc1ccn(n1)-c1ccccc1)c1ccccc1 |r|
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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))
BDBM50596153
PNG
(CHEMBL5202062)
Show SMILES O=C(Nc1ccn(n1)-c1ccccc1)C1(COC1)c1ccccc1
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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))
BDBM50596134
PNG
(CHEMBL5178289)
Show SMILES Fc1ccccc1CC(=O)Nc1nc(cs1)-c1ccccc1
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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))
BDBM50596148
PNG
(CHEMBL5174196)
Show SMILES CC(C)(C(=O)Nc1ccn(n1)-c1ccccc1)c1ccccc1
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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))
BDBM50596171
PNG
(CHEMBL5202263)
Show SMILES Fc1cncc(c1)-n1ccc(NC(=O)C2(CC2)c2cccc(c2)C#N)n1
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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))
BDBM50596173
PNG
(CHEMBL5207495)
Show SMILES Fc1cncc(c1)-n1ccc(NC(=O)C2(CC2)c2ccc(Cl)cc2)n1
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n/an/a 340n/an/an/an/an/an/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))
BDBM50596166
PNG
(CHEMBL5190980)
Show SMILES Cc1ccccc1C1(CC1)C(=O)Nc1ccn(n1)-c1cncc(F)c1
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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
PNG
(CHEMBL5206398)
Show SMILES Fc1ccccc1C1(CC1)C(=O)Nc1ccn(n1)-c1ncns1
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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
PNG
(CHEMBL5204141)
Show SMILES O=C(Nc1ccn(n1)-c1ccccc1)C1(CC1)c1ccccc1
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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))
BDBM50596154
PNG
(CHEMBL5169448)
Show SMILES Fc1ccccc1C1(CC1)C(=O)Nc1ccn(n1)-c1ccccc1
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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))
BDBM50139066
PNG
(CHEMBL2403494)
Show SMILES O=C(Cc1ccccc1)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H14N2OS/c20-16(11-13-7-3-1-4-8-13)19-17-18-15(12-21-17)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,18,19,20)
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n/an/a 500n/an/an/an/an/an/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))
BDBM50596178
PNG
(CHEMBL5202203)
Show SMILES Fc1ccc(F)c(c1)C1(CC1)C(=O)Nc1ccn(n1)-c1cncc(F)c1
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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
PNG
(CHEMBL5172768)
Show SMILES Fc1cncc(c1)-n1ccc(NC(=O)C2(CC2)c2ccccc2)n1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP
More data for this
Ligand-Target Pair
Large T antigen


(JC polyomavirus)
BDBM50533446
PNG
(CHEMBL4460953)
Show SMILES CC(=O)Nc1ccc(Oc2ncccc2-c2nc3ccncc3s2)cc1
Show InChI InChI=1S/C19H14N4O2S/c1-12(24)22-13-4-6-14(7-5-13)25-18-15(3-2-9-21-18)19-23-16-8-10-20-11-17(16)26-19/h2-11H,1H3,(H,22,24)
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n/an/a 600n/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...


J Med Chem 59: 7138-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00486
BindingDB Entry DOI: 10.7270/Q22Z1900
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 1


(Homo sapiens (Human))
BDBM50596174
PNG
(CHEMBL5170748)
Show SMILES COc1ccc(cc1)C1(CC1)C(=O)Nc1ccn(n1)-c1cncc(F)c1
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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))
BDBM50596147
PNG
(CHEMBL5201832)
Show SMILES CC[C@@H](C(=O)Nc1ccn(n1)-c1ccccc1)c1ccccc1 |r|
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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
PNG
(CHEMBL5185644)
Show SMILES Fc1ccc(cn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1
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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))
BDBM50596172
PNG
(CHEMBL5204609)
Show SMILES Fc1ccc(cc1)C1(CC1)C(=O)Nc1ccn(n1)-c1cncc(F)c1
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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
Large T antigen


(JC polyomavirus)
BDBM50533445
PNG
(CHEMBL4531456)
Show SMILES CC(=O)Nc1ccc(Oc2ccccc2-c2nc3ccncc3s2)cc1
Show InChI InChI=1S/C20H15N3O2S/c1-13(24)22-14-6-8-15(9-7-14)25-18-5-3-2-4-16(18)20-23-17-10-11-21-12-19(17)26-20/h2-12H,1H3,(H,22,24)
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n/an/a 900n/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...


J Med Chem 59: 7138-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00486
BindingDB Entry DOI: 10.7270/Q22Z1900
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Elongation of very long chain fatty acids protein 1


(Homo sapiens (Human))
BDBM50596137
PNG
(CHEMBL5181945)
Show SMILES Fc1ccccc1CC(=O)Nc1cnn(n1)-c1ccccc1
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n/an/a 900n/an/an/an/an/an/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
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