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Compile Data Set for Download or QSAR

Found 267 hits with Last Name = 'bucher' and Initial = 'c'   
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
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591075
PNG
(CHEMBL5200118)
Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(-c4nnc(C)s4)c(CCS(C)(=O)=O)c3)c2n1 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591046
PNG
(CHEMBL5202342)
Show SMILES Brc1nn(-c2ccc3ncccc3c2)c2nc(Nc3cnn(c3)C3CCNCC3)ncc12
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591054
PNG
(CHEMBL5179922)
Show SMILES COCCNC(=O)[C@@H]1CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc4ncccc4c3)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591045
PNG
(CHEMBL5209076)
Show SMILES Clc1nn(-c2ccc3ncccc3c2)c2nc(Nc3cnn(c3)C3CCNCC3)ncc12
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591066
PNG
(CHEMBL5190023)
Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(cc3)-c3nnc(C)s3)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591070
PNG
(CHEMBL5208600)
Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(-c4nnc(C)s4)c(F)c3)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591079
PNG
(CHEMBL5196751)
Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(-c4nnc(C)s4)c(c3)C#N)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591075
PNG
(CHEMBL5200118)
Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(-c4nnc(C)s4)c(CCS(C)(=O)=O)c3)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591081
PNG
(CHEMBL5193210)
Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(-c4nnc(C)s4)c(CCC#N)c3)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591044
PNG
(CHEMBL5202445)
Show SMILES Cc1nn(-c2ccc3ncccc3c2)c2nc(Nc3cnn(c3)C3CCNCC3)ncc12
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591077
PNG
(CHEMBL5201930)
Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(-c4nnc(C)s4)c(CCN)c3)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591066
PNG
(CHEMBL5190023)
Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(cc3)-c3nnc(C)s3)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591065
PNG
(CHEMBL5170361)
Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(cc3)-c3nnc(C)o3)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591072
PNG
(CHEMBL5172690)
Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(-c4nnc(C)s4)c(CCO)c3)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591065
PNG
(CHEMBL5170361)
Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(cc3)-c3nnc(C)o3)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591064
PNG
(CHEMBL5199369)
Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc4ncccc4c3)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591054
PNG
(CHEMBL5179922)
Show SMILES COCCNC(=O)[C@@H]1CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc4ncccc4c3)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591063
PNG
(CHEMBL5180017)
Show SMILES CNC(=O)[C@@H]1CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc4ncccc4c3)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591059
PNG
(CHEMBL5195519)
Show SMILES Brc1nn(-c2ccc3ncccc3c2)c2nc(N[C@@H]3CC[C@H](C3)c3ncc[nH]3)ncc12 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591064
PNG
(CHEMBL5199369)
Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc4ncccc4c3)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591043
PNG
(CHEMBL5199283)
Show SMILES CCn1cc(Nc2ncc3c(C)nn(-c4ccc5ncccc5c4)c3n2)cn1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50327976
PNG
(CHEMBL215476 | N-benzyl-N-(2-((4-cyanophenyl)((1-m...)
Show SMILES Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccccn1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H26N6O2S/c1-30-21-28-18-25(30)20-31(24-12-10-22(17-27)11-13-24)15-16-32(19-23-7-3-2-4-8-23)35(33,34)26-9-5-6-14-29-26/h2-14,18,21H,15-16,19-20H2,1H3
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n/an/a 25n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591063
PNG
(CHEMBL5180017)
Show SMILES CNC(=O)[C@@H]1CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc4ncccc4c3)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591072
PNG
(CHEMBL5172690)
Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(-c4nnc(C)s4)c(CCO)c3)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591067
PNG
(CHEMBL5201758)
Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(cc3)-c3cnc(C)s3)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591078
PNG
(CHEMBL5195933)
Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(-c4nnc(C)s4)c(CCN(C)C)c3)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591081
PNG
(CHEMBL5193210)
Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(-c4nnc(C)s4)c(CCC#N)c3)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50327977
PNG
(CHEMBL379511 | N-benzyl-N-(2-((4-cyanophenyl)((1-m...)
Show SMILES Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1cccc2cccnc12)c1ccc(cc1)C#N
Show InChI InChI=1S/C30H28N6O2S/c1-34-23-32-20-28(34)22-35(27-14-12-24(19-31)13-15-27)17-18-36(21-25-7-3-2-4-8-25)39(37,38)29-11-5-9-26-10-6-16-33-30(26)29/h2-16,20,23H,17-18,21-22H2,1H3
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Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50327983
PNG
(1-methyl-1H-imidazole-4-sulfonic acid {2-[(4-cyano...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CCn1cccc1
Show InChI InChI=1S/C24H28N8O2S/c1-28-18-24(27-20-28)35(33,34)32(13-11-30-9-3-4-10-30)14-12-31(17-23-16-26-19-29(23)2)22-7-5-21(15-25)6-8-22/h3-10,16,18-20H,11-14,17H2,1-2H3
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Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591070
PNG
(CHEMBL5208600)
Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(-c4nnc(C)s4)c(F)c3)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591079
PNG
(CHEMBL5196751)
Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(-c4nnc(C)s4)c(c3)C#N)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591050
PNG
(CHEMBL5197413)
Show SMILES COCCNC(=O)[C@H]1C[C@@H](C1)Nc1ncc2c(Br)nn(-c3ccc4ncccc4c3)c2n1 |r,wU:9.11,wD:7.6,(-8.44,-7.42,;-8.44,-5.88,;-7.11,-5.11,;-7.11,-3.57,;-5.77,-2.8,;-5.77,-1.26,;-7.11,-.49,;-4.44,-.49,;-2.95,-.89,;-2.54,.62,;-4.03,1.02,;-1.21,1.39,;.12,.62,;.12,-.92,;1.46,-1.69,;2.79,-.92,;4.25,-1.38,;4.65,-2.86,;5.17,-.13,;4.29,1.09,;4.69,2.58,;3.6,3.67,;4,5.15,;5.48,5.55,;5.88,7.02,;7.36,7.42,;8.44,6.35,;8.05,4.87,;6.57,4.47,;6.18,2.98,;2.79,.62,;1.46,1.39,)|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM13313
PNG
(N-Benzyl-N-{2-[(4-cyanophenyl)-(3-methyl-3H-imidaz...)
Show SMILES Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H27N5O2S/c1-30-22-29-19-26(30)21-31(25-14-12-23(18-28)13-15-25)16-17-32(20-24-8-4-2-5-9-24)35(33,34)27-10-6-3-7-11-27/h2-15,19,22H,16-17,20-21H2,1H3
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n/an/a 41n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591060
PNG
(CHEMBL5199088)
Show SMILES CNS(=O)(=O)[C@@H]1CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc4ncccc4c3)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50327974
PNG
(CHEMBL1258797 | N-Benzyl,N-{2-[(4-Cyanophenyl)-(3-...)
Show SMILES CCCS(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccccc1
Show InChI InChI=1S/C24H29N5O2S/c1-3-15-32(30,31)29(18-22-7-5-4-6-8-22)14-13-28(19-24-17-26-20-27(24)2)23-11-9-21(16-25)10-12-23/h4-12,17,20H,3,13-15,18-19H2,1-2H3
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n/an/a 48n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50327975
PNG
(CHEMBL215475 | N-benzyl-N-(2-((4-cyanophenyl)((1-m...)
Show SMILES Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1cccs1)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H25N5O2S2/c1-28-20-27-17-24(28)19-29(23-11-9-21(16-26)10-12-23)13-14-30(18-22-6-3-2-4-7-22)34(31,32)25-8-5-15-33-25/h2-12,15,17,20H,13-14,18-19H2,1H3
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n/an/a 50n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM13311
PNG
(1-Methyl-1H-imidazole-4-sulfonic Acid {2-[(4-Cyano...)
Show SMILES Cc1ccccc1CN(CCN(Cc1cncn1C)c1ccc(cc1)C#N)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C26H29N7O2S/c1-21-6-4-5-7-23(21)16-33(36(34,35)26-18-30(2)20-29-26)13-12-32(17-25-15-28-19-31(25)3)24-10-8-22(14-27)9-11-24/h4-11,15,18-20H,12-13,16-17H2,1-3H3
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n/an/a 51n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50327979
PNG
(1-methyl-1H-imidazole-4-sulfonic acid allyl-{2-[(4...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC=C
Show InChI InChI=1S/C21H25N7O2S/c1-4-9-28(31(29,30)21-15-25(2)17-24-21)11-10-27(14-20-13-23-16-26(20)3)19-7-5-18(12-22)6-8-19/h4-8,13,15-17H,1,9-11,14H2,2-3H3
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n/an/a 54n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50327990
PNG
(1-methyl-1H-imidazole-4-sulfonic acid {2-[(4-cyano...)
Show SMILES Cc1cccc(CN(CCN(Cc2cncn2C)c2ccc(cc2)C#N)S(=O)(=O)c2cn(C)cn2)c1
Show InChI InChI=1S/C26H29N7O2S/c1-21-5-4-6-23(13-21)16-33(36(34,35)26-18-30(2)20-29-26)12-11-32(17-25-15-28-19-31(25)3)24-9-7-22(14-27)8-10-24/h4-10,13,15,18-20H,11-12,16-17H2,1-3H3
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n/an/a 54n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591061
PNG
(CHEMBL5175719)
Show SMILES COCCS(=O)(=O)N[C@@H]1CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc4ncccc4c3)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM13307
PNG
(1-Methyl-1H-imidazole-4-sulfonic Acid Benzyl-{2-[(...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccccc1
Show InChI InChI=1S/C25H27N7O2S/c1-29-18-25(28-20-29)35(33,34)32(16-22-6-4-3-5-7-22)13-12-31(17-24-15-27-19-30(24)2)23-10-8-21(14-26)9-11-23/h3-11,15,18-20H,12-13,16-17H2,1-2H3
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n/an/a 56n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591042
PNG
(CHEMBL5183235)
Show SMILES CCn1cc(Nc2ncc3c(C)nn(-c4ccc(cc4)C#N)c3n2)cn1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM13315
PNG
(1-Methyl-1H-imidazole-4-sulfonic Acid {2-[(4-Cyano...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC1CCCCC1
Show InChI InChI=1S/C25H33N7O2S/c1-29-18-25(28-20-29)35(33,34)32(16-22-6-4-3-5-7-22)13-12-31(17-24-15-27-19-30(24)2)23-10-8-21(14-26)9-11-23/h8-11,15,18-20,22H,3-7,12-13,16-17H2,1-2H3
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n/an/a 60n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591051
PNG
(CHEMBL5183990)
Show SMILES COCCNC(=O)[C@H]1CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc4ncccc4c3)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591073
PNG
(CHEMBL5176674)
Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(-c4nnc(C)s4)c(c3)S(C)(=O)=O)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50134041
PNG
(CHEMBL1256439)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1F)C#N)CC1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C28H33FN10O2S/c1-35-19-27(34-21-35)42(40,41)39(17-22-6-10-37(11-7-22)28-32-8-3-9-33-28)13-12-38(18-24-16-31-20-36(24)2)26-5-4-23(15-30)14-25(26)29/h3-5,8-9,14,16,19-22H,6-7,10-13,17-18H2,1-2H3
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n/an/a 64n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50327985
PNG
(CHEMBL452319 | N-(2-((4-cyanophenyl)((1-methyl-1H-...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccsc1
Show InChI InChI=1S/C23H25N7O2S2/c1-27-15-23(26-18-27)34(31,32)30(13-20-7-10-33-16-20)9-8-29(14-22-12-25-17-28(22)2)21-5-3-19(11-24)4-6-21/h3-7,10,12,15-18H,8-9,13-14H2,1-2H3
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n/an/a 67n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50327974
PNG
(CHEMBL1258797 | N-Benzyl,N-{2-[(4-Cyanophenyl)-(3-...)
Show SMILES CCCS(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccccc1
Show InChI InChI=1S/C24H29N5O2S/c1-3-15-32(30,31)29(18-22-7-5-4-6-8-22)14-13-28(19-24-17-26-20-27(24)2)23-11-9-21(16-25)10-12-23/h4-12,17,20H,3,13-15,18-19H2,1-2H3
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n/an/a 70n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50327982
PNG
(1-methyl-1H-imidazole-4-sulfonic acid {2-[(4-cyano...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccncc1
Show InChI InChI=1S/C24H26N8O2S/c1-29-17-24(28-19-29)35(33,34)32(15-21-7-9-26-10-8-21)12-11-31(16-23-14-27-18-30(23)2)22-5-3-20(13-25)4-6-22/h3-10,14,17-19H,11-12,15-16H2,1-2H3
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n/an/a 72n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM50591055
PNG
(CHEMBL5200952)
Show SMILES COCCC(=O)N[C@@H]1CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc4ncccc4c3)c2n1 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
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