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PubMed code 28208018

Compile data set for download or QSAR
Found 26 hits of Enzyme Inhibition Constant Data   
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
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM36510
PNG
(1-(Carboxymethyl)-1H-benzo[g]indole-2-carboxylic a...)
Show SMILES OC(=O)Cn1c(cc2ccc3ccccc3c12)C(O)=O
Show InChI InChI=1S/C15H11NO4/c17-13(18)8-16-12(15(19)20)7-10-6-5-9-3-1-2-4-11(9)14(10)16/h1-7H,8H2,(H,17,18)(H,19,20)
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PubMed
n/an/a 850n/an/an/an/an/an/a



McGill University

Curated by ChEMBL




J Med Chem 60: 2119-2134 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01888
BindingDB Entry DOI: 10.7270/Q23F4RXR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50235471
PNG
(CHEMBL4062596)
Show SMILES Cc1ccc(cc1Cl)-c1cc2c(NC(Cc3cccc(F)c3)P(O)(O)=O)ncnc2s1
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n/an/a 860n/an/an/an/an/an/a



McGill University

Curated by ChEMBL




J Med Chem 60: 2119-2134 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01888
BindingDB Entry DOI: 10.7270/Q23F4RXR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50235473
PNG
(CHEMBL4072263)
Show SMILES COc1cc(C)c(F)cc1-c1cc2c(NC(Cc3cccc(F)c3)P(O)(O)=O)ncnc2s1
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n/an/a 870n/an/an/an/an/an/a



McGill University

Curated by ChEMBL




J Med Chem 60: 2119-2134 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01888
BindingDB Entry DOI: 10.7270/Q23F4RXR
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50235478
PNG
(CHEMBL4100337)
Show SMILES Cc1ccc(cc1)-c1cc2c(N[C@H](Cc3ccccc3)P(O)(O)=O)ncnc2s1 |r|
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n/an/a 1.00E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL




J Med Chem 60: 2119-2134 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01888
BindingDB Entry DOI: 10.7270/Q23F4RXR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50235476
PNG
(CHEMBL4085285)
Show SMILES COc1ccc(F)cc1-c1cc2c(NC(Cc3cccc(F)c3)P(O)(O)=O)ncnc2s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL




J Med Chem 60: 2119-2134 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01888
BindingDB Entry DOI: 10.7270/Q23F4RXR
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50235470
PNG
(CHEMBL4090564)
Show SMILES Cc1ccc(cc1)-c1cc2c(NC(Cc3cccc(F)c3)P(O)(O)=O)ncnc2s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL




J Med Chem 60: 2119-2134 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01888
BindingDB Entry DOI: 10.7270/Q23F4RXR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50235461
PNG
(CHEMBL4074061)
Show SMILES Cc1ccc(cc1)-c1cc2c(NC(Cc3ccccc3)P(O)(O)=O)ncnc2s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL




J Med Chem 60: 2119-2134 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01888
BindingDB Entry DOI: 10.7270/Q23F4RXR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50235472
PNG
(CHEMBL4063665)
Show SMILES Cc1ccc(cc1F)-c1cc2c(NC(Cc3cccc(F)c3)P(O)(O)=O)ncnc2s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL




J Med Chem 60: 2119-2134 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01888
BindingDB Entry DOI: 10.7270/Q23F4RXR
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50022668
PNG
(CHEMBL3299149)
Show SMILES Cc1ccc(cc1Cl)-c1cc2c(NC(c3ccccc3)P(O)(O)=O)ncnc2s1
Show InChI InChI=1S/C20H17ClN3O3PS/c1-12-7-8-14(9-16(12)21)17-10-15-18(22-11-23-20(15)29-17)24-19(28(25,26)27)13-5-3-2-4-6-13/h2-11,19H,1H3,(H,22,23,24)(H2,25,26,27)
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n/an/a 1.60E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL




J Med Chem 60: 2119-2134 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01888
BindingDB Entry DOI: 10.7270/Q23F4RXR
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50235475
PNG
(CHEMBL4100741)
Show SMILES Cc1ccc(cc1)-c1cc2c(NC(CC3CCCCC3)P(O)(O)=O)ncnc2s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL




J Med Chem 60: 2119-2134 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01888
BindingDB Entry DOI: 10.7270/Q23F4RXR
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50235464
PNG
(CHEMBL4095113)
Show SMILES COc1cc(C)c(F)cc1-c1cc2c(NC(Cc3ccccc3)P(O)(O)=O)ncnc2s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL




J Med Chem 60: 2119-2134 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01888
BindingDB Entry DOI: 10.7270/Q23F4RXR
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50235462
PNG
(CHEMBL4087424)
Show SMILES Cc1ccc(cc1Cl)-c1cc2c(NC(Cc3ccccc3)P(O)(O)=O)ncnc2s1
PDB
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n/an/a 2.30E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL




J Med Chem 60: 2119-2134 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01888
BindingDB Entry DOI: 10.7270/Q23F4RXR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50235480
PNG
(CHEMBL4079542)
Show SMILES Cc1c(sc2ncnc(NC(Cc3ccccc3)P(O)(O)=O)c12)-c1ccc(C)cc1
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n/an/a 2.60E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL




J Med Chem 60: 2119-2134 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01888
BindingDB Entry DOI: 10.7270/Q23F4RXR
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50235469
PNG
(CHEMBL4082744)
Show SMILES Cc1ccc(cc1)-c1cc2c(NC(CC3CCC3)P(O)(O)=O)ncnc2s1
PDB
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n/an/a 2.80E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL




J Med Chem 60: 2119-2134 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01888
BindingDB Entry DOI: 10.7270/Q23F4RXR
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50235468
PNG
(CHEMBL4073585)
Show SMILES Cc1ccc(cc1)-c1cc2c(NC(c3ccc4OCCc4c3)P(O)(O)=O)ncnc2s1
PDB
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n/an/a 3.00E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL




J Med Chem 60: 2119-2134 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01888
BindingDB Entry DOI: 10.7270/Q23F4RXR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50022667
PNG
(CHEMBL3299051)
Show SMILES Cc1ccc(cc1Cl)-c1cc2c(NCP(O)(O)=O)ncnc2s1
Show InChI InChI=1S/C14H13ClN3O3PS/c1-8-2-3-9(4-11(8)15)12-5-10-13(18-7-22(19,20)21)16-6-17-14(10)23-12/h2-6H,7H2,1H3,(H,16,17,18)(H2,19,20,21)
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n/an/a 3.30E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL




J Med Chem 60: 2119-2134 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01888
BindingDB Entry DOI: 10.7270/Q23F4RXR
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50235467
PNG
(CHEMBL4094213)
Show SMILES Cc1ccc(cc1)-c1cc2c(N[C@@H](Cc3ccccc3)C(=O)NP(O)(O)=O)ncnc2s1 |r|
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n/an/a 3.70E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL




J Med Chem 60: 2119-2134 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01888
BindingDB Entry DOI: 10.7270/Q23F4RXR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50235474
PNG
(CHEMBL4090167)
Show SMILES Cc1ccc(cc1)-c1cc2c(N[C@@H](Cc3ccccc3)P(O)(O)=O)ncnc2s1 |r|
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n/an/a 4.00E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL




J Med Chem 60: 2119-2134 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01888
BindingDB Entry DOI: 10.7270/Q23F4RXR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50235465
PNG
(CHEMBL4068738)
Show SMILES COc1cc(C)c(Cl)cc1-c1cc2c(NC(Cc3ccccc3)P(O)(O)=O)ncnc2s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL




J Med Chem 60: 2119-2134 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01888
BindingDB Entry DOI: 10.7270/Q23F4RXR
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50235477
PNG
(CHEMBL4093024)
Show SMILES COc1cc(C)c(F)cc1-c1cc2c(NCP(O)(O)=O)ncnc2s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL




J Med Chem 60: 2119-2134 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01888
BindingDB Entry DOI: 10.7270/Q23F4RXR
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50235460
PNG
(CHEMBL4068147)
Show SMILES Cc1ccc(cc1)-c1cc2c(NC(c3ccccc3)P(O)(O)=O)ncnc2s1
PDB
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n/an/a 4.80E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL




J Med Chem 60: 2119-2134 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01888
BindingDB Entry DOI: 10.7270/Q23F4RXR
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50022663
PNG
(CHEMBL3299047)
Show SMILES Cc1ccc(cc1)-c1cc2c(NCP(O)(O)=O)ncnc2s1
Show InChI InChI=1S/C14H14N3O3PS/c1-9-2-4-10(5-3-9)12-6-11-13(17-8-21(18,19)20)15-7-16-14(11)22-12/h2-7H,8H2,1H3,(H,15,16,17)(H2,18,19,20)
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n/an/a 5.00E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL




J Med Chem 60: 2119-2134 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01888
BindingDB Entry DOI: 10.7270/Q23F4RXR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50235479
PNG
(CHEMBL4089846)
Show SMILES COc1cc(C)c(Cl)cc1-c1cc2c(NC(c3ccccc3)P(O)(O)=O)ncnc2s1
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n/an/a 8.40E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL




J Med Chem 60: 2119-2134 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01888
BindingDB Entry DOI: 10.7270/Q23F4RXR
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50235463
PNG
(CHEMBL4067698)
Show SMILES COc1cc(C)c(Cl)cc1-c1cc2c(NCP(O)(O)=O)ncnc2s1
PDB
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n/an/a 8.80E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL




J Med Chem 60: 2119-2134 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01888
BindingDB Entry DOI: 10.7270/Q23F4RXR
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50235466
PNG
(CHEMBL4097575)
Show SMILES Cc1c(sc2ncnc(NCP(O)(O)=O)c12)-c1ccc(C)cc1
PDB
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n/an/a 1.00E+4n/an/an/an/an/an/a



McGill University

Curated by ChEMBL




J Med Chem 60: 2119-2134 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01888
BindingDB Entry DOI: 10.7270/Q23F4RXR
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50235459
PNG
(CHEMBL4079020)
Show SMILES OP(O)(=O)CNc1ncnc2sccc12
PDB
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n/an/a>1.00E+5n/an/an/an/an/an/a



McGill University

Curated by ChEMBL




J Med Chem 60: 2119-2134 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01888
BindingDB Entry DOI: 10.7270/Q23F4RXR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%