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Compile Data Set for Download or QSAR

Found 54 hits with Last Name = 'dubois' and Initial = 'n'   
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
CTP synthase 2


(Rattus norvegicus)
BDBM50609673
PNG
(CHEMBL5267968)
Show SMILES CC(C)(C(=O)Nc1ccc(cc1F)-c1cncc(n1)C(F)(F)F)c1csc(NS(=O)(=O)C2CC2)n1
PDB

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n/an/a 1n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609673
PNG
(CHEMBL5267968)
Show SMILES CC(C)(C(=O)Nc1ccc(cc1F)-c1cncc(n1)C(F)(F)F)c1csc(NS(=O)(=O)C2CC2)n1
PDB
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Citation and Details
More data for this
Ligand-Target Pair
CTP synthase 2


(Homo sapiens)
BDBM50609674
PNG
(CHEMBL5283284)
Show SMILES CC(C)(C(=O)Nc1ccc(cn1)-c1cncc(n1)C(F)(F)F)c1csc(NS(=O)(=O)C2CC2)n1
PDB
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More data for this
Ligand-Target Pair
CTP synthase 1


(Mus musculus)
BDBM50609673
PNG
(CHEMBL5267968)
Show SMILES CC(C)(C(=O)Nc1ccc(cc1F)-c1cncc(n1)C(F)(F)F)c1csc(NS(=O)(=O)C2CC2)n1
PDB

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n/an/a 18n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
CTP synthase 2


(Homo sapiens)
BDBM50609673
PNG
(CHEMBL5267968)
Show SMILES CC(C)(C(=O)Nc1ccc(cc1F)-c1cncc(n1)C(F)(F)F)c1csc(NS(=O)(=O)C2CC2)n1
PDB
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Citation and Details
More data for this
Ligand-Target Pair
CTP synthase 2


(Rattus norvegicus)
BDBM50609674
PNG
(CHEMBL5283284)
Show SMILES CC(C)(C(=O)Nc1ccc(cn1)-c1cncc(n1)C(F)(F)F)c1csc(NS(=O)(=O)C2CC2)n1
PDB

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Citation and Details
More data for this
Ligand-Target Pair
CTP synthase 1


(Mus musculus)
BDBM50609674
PNG
(CHEMBL5283284)
Show SMILES CC(C)(C(=O)Nc1ccc(cn1)-c1cncc(n1)C(F)(F)F)c1csc(NS(=O)(=O)C2CC2)n1
PDB

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Citation and Details
More data for this
Ligand-Target Pair
CTP synthase 2


(Mus musculus)
BDBM50609673
PNG
(CHEMBL5267968)
Show SMILES CC(C)(C(=O)Nc1ccc(cc1F)-c1cncc(n1)C(F)(F)F)c1csc(NS(=O)(=O)C2CC2)n1
PDB

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Citation and Details
More data for this
Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609674
PNG
(CHEMBL5283284)
Show SMILES CC(C)(C(=O)Nc1ccc(cn1)-c1cncc(n1)C(F)(F)F)c1csc(NS(=O)(=O)C2CC2)n1
PDB
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More data for this
Ligand-Target Pair
CTP synthase 2


(Mus musculus)
BDBM50609674
PNG
(CHEMBL5283284)
Show SMILES CC(C)(C(=O)Nc1ccc(cn1)-c1cncc(n1)C(F)(F)F)c1csc(NS(=O)(=O)C2CC2)n1
PDB

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More data for this
Ligand-Target Pair
CTP synthase 2


(Rattus norvegicus)
BDBM50609670
PNG
(CHEMBL5277468)
Show SMILES CC(C)(C(=O)Nc1ccc(cc1)-c1cccnc1)c1csc(NS(=O)(=O)C2CC2)n1
PDB

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Citation and Details
More data for this
Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609670
PNG
(CHEMBL5277468)
Show SMILES CC(C)(C(=O)Nc1ccc(cc1)-c1cccnc1)c1csc(NS(=O)(=O)C2CC2)n1
PDB
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More data for this
Ligand-Target Pair
CTP synthase 1


(Mus musculus)
BDBM50609670
PNG
(CHEMBL5277468)
Show SMILES CC(C)(C(=O)Nc1ccc(cc1)-c1cccnc1)c1csc(NS(=O)(=O)C2CC2)n1
PDB

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Citation and Details
More data for this
Ligand-Target Pair
CTP synthase 2


(Mus musculus)
BDBM50609670
PNG
(CHEMBL5277468)
Show SMILES CC(C)(C(=O)Nc1ccc(cc1)-c1cccnc1)c1csc(NS(=O)(=O)C2CC2)n1
PDB

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Citation and Details
More data for this
Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609644
PNG
(CHEMBL5288271)
Show SMILES CCS(=O)(=O)Nc1nc(CC(=O)Nc2cccc(Cl)c2)cs1
PDB
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More data for this
Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609662
PNG
(CHEMBL5275093)
Show SMILES CCCOc1ccc(NC(=O)Cc2csc(NS(=O)(=O)C3CC3)n2)cc1
PDB
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More data for this
Ligand-Target Pair
CTP synthase 2


(Rattus norvegicus)
BDBM50609669
PNG
(CHEMBL5288393)
Show SMILES CCCOc1ccc(NC(=O)C(C)(C)c2csc(NS(=O)(=O)C3CC3)n2)cc1
PDB

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Citation and Details
More data for this
Ligand-Target Pair
CTP synthase 2


(Homo sapiens)
BDBM50609670
PNG
(CHEMBL5277468)
Show SMILES CC(C)(C(=O)Nc1ccc(cc1)-c1cccnc1)c1csc(NS(=O)(=O)C2CC2)n1
PDB
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Citation and Details
More data for this
Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609647
PNG
(CHEMBL5291055)
Show SMILES Clc1cccc(NC(=O)Cc2csc(NS(=O)(=O)C3CC3)n2)c1
PDB
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Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609664
PNG
(CHEMBL5270156)
Show SMILES O=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1cccc(c1)-c1ccccc1
PDB
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Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609665
PNG
(CHEMBL5288933)
Show SMILES O=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1ccc(cc1)-c1cccnc1
PDB
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More data for this
Ligand-Target Pair
CTP synthase 1


(Mus musculus)
BDBM50609669
PNG
(CHEMBL5288393)
Show SMILES CCCOc1ccc(NC(=O)C(C)(C)c2csc(NS(=O)(=O)C3CC3)n2)cc1
PDB

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More data for this
Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609663
PNG
(CHEMBL5288354)
Show SMILES O=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1ccc(cc1)-c1ccccc1
PDB
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More data for this
Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609668
PNG
(CHEMBL5287919)
Show SMILES O=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1ccc(cn1)-c1ccccc1
PDB
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Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609652
PNG
(CHEMBL5284514)
Show SMILES CN(C(=O)Cc1csc(NS(=O)(=O)C2CC2)n1)c1cccc(Cl)c1
PDB
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More data for this
Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609669
PNG
(CHEMBL5288393)
Show SMILES CCCOc1ccc(NC(=O)C(C)(C)c2csc(NS(=O)(=O)C3CC3)n2)cc1
PDB
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More data for this
Ligand-Target Pair
CTP synthase 2


(Homo sapiens)
BDBM50609669
PNG
(CHEMBL5288393)
Show SMILES CCCOc1ccc(NC(=O)C(C)(C)c2csc(NS(=O)(=O)C3CC3)n2)cc1
PDB
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More data for this
Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609661
PNG
(CHEMBL5278356)
Show SMILES CCCOc1cccc(NC(=O)Cc2csc(NS(=O)(=O)C3CC3)n2)c1
PDB
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More data for this
Ligand-Target Pair
CTP synthase 2


(Mus musculus)
BDBM50609669
PNG
(CHEMBL5288393)
Show SMILES CCCOc1ccc(NC(=O)C(C)(C)c2csc(NS(=O)(=O)C3CC3)n2)cc1
PDB

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n/an/a 1.10E+3n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609643
PNG
(CHEMBL5266038)
Show SMILES CS(=O)(=O)Nc1nc(CC(=O)Nc2cccc(Cl)c2)cs1
PDB
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n/an/a 2.30E+3n/an/an/an/an/an/a


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Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609666
PNG
(CHEMBL5280120)
Show SMILES O=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1ccc(cc1)-c1ccncc1
PDB
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n/an/a 4.47E+3n/an/an/an/an/an/a


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Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609660
PNG
(CHEMBL5270880)
Show SMILES Clc1ccc(NC(=O)Cc2csc(NS(=O)(=O)C3CC3)n2)cc1
PDB
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n/an/a 4.50E+3n/an/an/an/an/an/a


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Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609667
PNG
(CHEMBL5279706)
Show SMILES O=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1ccc(cc1)-c1ccccn1
PDB
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n/an/a 7.18E+3n/an/an/an/an/an/a


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Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609675
PNG
(CHEMBL5288448)
Show SMILES CC1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(N)=O
PDB
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n/an/a 7.82E+3n/an/an/an/an/an/a


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Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609645
PNG
(CHEMBL5270761)
Show SMILES CCCS(=O)(=O)Nc1nc(CC(=O)Nc2cccc(Cl)c2)cs1
PDB
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n/an/a 9.60E+3n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609650
PNG
(CHEMBL5279495)
Show SMILES FC(F)(F)S(=O)(=O)Nc1nc(CC(=O)Nc2cccc(Cl)c2)cs1
PDB
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n/an/a 1.33E+4n/an/an/an/an/an/a


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Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609646
PNG
(CHEMBL5270292)
Show SMILES CC(C)S(=O)(=O)Nc1nc(CC(=O)Nc2cccc(Cl)c2)cs1
PDB
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n/an/a 2.34E+4n/an/an/an/an/an/a


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Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609676
PNG
(CHEMBL5279558)
Show SMILES COC(=O)c1cc(NC(=O)S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cs1
PDB
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n/an/a 2.59E+4n/an/an/an/an/an/a


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Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609657
PNG
(CHEMBL5283422)
Show SMILES Clc1cccc(NC(=O)Cc2cccc(NS(=O)(=O)C3CC3)n2)c1
PDB
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n/an/a 2.69E+4n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609674
PNG
(CHEMBL5283284)
Show SMILES CC(C)(C(=O)Nc1ccc(cn1)-c1cncc(n1)C(F)(F)F)c1csc(NS(=O)(=O)C2CC2)n1
PDB
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More data for this
Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609673
PNG
(CHEMBL5267968)
Show SMILES CC(C)(C(=O)Nc1ccc(cc1F)-c1cncc(n1)C(F)(F)F)c1csc(NS(=O)(=O)C2CC2)n1
PDB
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More data for this
Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609672
PNG
(CHEMBL5287389)
Show SMILES CC(C)(C(=O)Nc1ccc(cc1F)-c1cncc(c1)C(F)(F)F)c1csc(NS(=O)(=O)C2CC2)n1
PDB
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Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609670
PNG
(CHEMBL5277468)
Show SMILES CC(C)(C(=O)Nc1ccc(cc1)-c1cccnc1)c1csc(NS(=O)(=O)C2CC2)n1
PDB
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UniChem
n/an/a 6.90E+4n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609648
PNG
(CHEMBL5279838)
Show SMILES CC(C)(C)S(=O)(=O)Nc1nc(CC(=O)Nc2cccc(Cl)c2)cs1
PDB
MMDB

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n/an/a 7.32E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609671
PNG
(CHEMBL5280009)
Show SMILES CC(C)(C(=O)Nc1ccc(cc1F)-c1cccnc1)c1csc(NS(=O)(=O)C2CC2)n1
PDB
MMDB

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n/an/a 7.50E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609649
PNG
(CHEMBL5269282)
Show SMILES COCCS(=O)(=O)Nc1nc(CC(=O)Nc2cccc(Cl)c2)cs1
PDB
MMDB

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PC sid
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n/an/a 1.28E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609651
PNG
(CHEMBL5287652)
Show SMILES Clc1cccc(NC(=O)Cc2csc(NS(=O)(=O)c3ccccc3)n2)c1
PDB
MMDB

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PC cid
PC sid
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n/an/a>2.00E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609654
PNG
(CHEMBL5291374)
Show SMILES CNC(=O)c1nc(CC(=O)Nc2cccc(Cl)c2)cs1
PDB
MMDB

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UniProtKB/SwissProt

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PC sid
UniChem
n/an/a>2.00E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609655
PNG
(CHEMBL5272495)
Show SMILES OC(=O)c1nc(CC(=O)Nc2cccc(Cl)c2)cs1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/a>2.00E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
CTP synthase 1


(Homo sapiens)
BDBM50609656
PNG
(CHEMBL5286545)
Show SMILES CN(c1nc(CC(=O)Nc2cccc(Cl)c2)cs1)S(C)(=O)=O
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/a>2.00E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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