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Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'johnsson' and Initial = 're'   
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
Galectin-9


(Homo sapiens (Human))
BDBM50591130
PNG
(CHEMBL5181579)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 2.40E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50591132
PNG
(CHEMBL5182222)
Show SMILES OC[C@H]1O[C@H](Sc2cncc(Br)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 770n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-9


(Homo sapiens (Human))
BDBM50591132
PNG
(CHEMBL5182222)
Show SMILES OC[C@H]1O[C@H](Sc2cncc(Br)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 1.94E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-9


(Homo sapiens (Human))
BDBM50591130
PNG
(CHEMBL5181579)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 2.70E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-9


(Homo sapiens (Human))
BDBM50591131
PNG
(CHEMBL5193805)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(C#N)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 3.19E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-9


(Homo sapiens (Human))
BDBM50591132
PNG
(CHEMBL5182222)
Show SMILES OC[C@H]1O[C@H](Sc2cncc(Br)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 1.61E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens (Human))
BDBM50591130
PNG
(CHEMBL5181579)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 1.10E+4n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens (Human))
BDBM50591131
PNG
(CHEMBL5193805)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(C#N)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 2.21E+4n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens (Human))
BDBM50591132
PNG
(CHEMBL5182222)
Show SMILES OC[C@H]1O[C@H](Sc2cncc(Br)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 8.90E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens (Human))
BDBM50591130
PNG
(CHEMBL5181579)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 8.30E+4n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens (Human))
BDBM50591131
PNG
(CHEMBL5193805)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(C#N)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 1.09E+5n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens (Human))
BDBM50591132
PNG
(CHEMBL5182222)
Show SMILES OC[C@H]1O[C@H](Sc2cncc(Br)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 1.26E+5n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50591130
PNG
(CHEMBL5181579)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 2.90E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50591131
PNG
(CHEMBL5193805)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(C#N)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 3.22E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50591132
PNG
(CHEMBL5182222)
Show SMILES OC[C@H]1O[C@H](Sc2cncc(Br)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 1.82E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50591130
PNG
(CHEMBL5181579)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 130n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50591131
PNG
(CHEMBL5193805)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(C#N)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50591132
PNG
(CHEMBL5182222)
Show SMILES OC[C@H]1O[C@H](Sc2cncc(Br)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 92n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50591130
PNG
(CHEMBL5181579)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 37n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-3


(Homo sapiens (Human))
BDBM50591131
PNG
(CHEMBL5193805)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(C#N)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50591132
PNG
(CHEMBL5182222)
Show SMILES OC[C@H]1O[C@H](Sc2cncc(Br)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 25n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-3


(Homo sapiens (Human))
BDBM50591133
PNG
(CHEMBL5189996)
Show SMILES [H][C@]1(O[C@H](CSCCCC)[C@H](O)[C@@H]([C@H]1O)n1cc(nn1)-c1cccc(F)c1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1O)n1cc(nn1)-c1cccc(F)c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50591134
PNG
(CHEMBL5181494)
Show SMILES [H][C@]1(O[C@H](C)[C@H](O)[C@@H]([C@H]1O)n1cc(nn1)-c1cccc(F)c1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1O)n1cc(nn1)-c1cccc(F)c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50591135
PNG
(CHEMBL5208259)
Show SMILES [H][C@]1(O[C@H](COC)[C@H](OC)[C@@H]([C@H]1OC)n1cc(nn1)-c1cccc(F)c1)S[C@@H]1O[C@H](CO)[C@H](OC)[C@@H]([C@H]1OC)n1cc(nn1)-c1cccc(F)c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50591136
PNG
(CHEMBL5173943)
Show SMILES [H][C@]1(O[C@H](COC)[C@H](OC)[C@@H]([C@H]1OC)n1cc(nn1)-c1cccc(F)c1)S[C@@H]1O[C@H](COC)[C@H](OC)[C@@H]([C@H]1OC)n1cc(nn1)-c1cccc(F)c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50591137
PNG
(CHEMBL5191575)
Show SMILES CC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)cc1 |r|
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n/an/an/a 3.20E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50591138
PNG
(CHEMBL5183903)
Show SMILES COc1cccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50247507
PNG
(CHEMBL4096039)
Show SMILES Cc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)cc1 |r|
Show InChI InChI=1S/C21H20F3N3O4S/c1-10-2-4-12(5-3-10)32-21-20(30)18(19(29)16(9-28)31-21)27-8-15(25-26-27)11-6-13(22)17(24)14(23)7-11/h2-8,16,18-21,28-30H,9H2,1H3/t16-,18+,19+,20-,21+/m1/s1
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n/an/an/a 380n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-3


(Homo sapiens (Human))
BDBM50591139
PNG
(CHEMBL5183295)
Show SMILES CC(=O)Nc1ccc(S[C@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)cc1 |r|
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n/an/an/a 37n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50591130
PNG
(CHEMBL5181579)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-3


(Homo sapiens (Human))
BDBM50591131
PNG
(CHEMBL5193805)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(C#N)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50591132
PNG
(CHEMBL5182222)
Show SMILES OC[C@H]1O[C@H](Sc2cncc(Br)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-3


(Homo sapiens (Human))
BDBM50247507
PNG
(CHEMBL4096039)
Show SMILES Cc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)cc1 |r|
Show InChI InChI=1S/C21H20F3N3O4S/c1-10-2-4-12(5-3-10)32-21-20(30)18(19(29)16(9-28)31-21)27-8-15(25-26-27)11-6-13(22)17(24)14(23)7-11/h2-8,16,18-21,28-30H,9H2,1H3/t16-,18+,19+,20-,21+/m1/s1
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n/an/an/a 380n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-1


(Rattus norvegicus)
BDBM50591130
PNG
(CHEMBL5181579)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 3.70E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-1


(Rattus norvegicus)
BDBM50591131
PNG
(CHEMBL5193805)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(C#N)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 5.18E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-1


(Rattus norvegicus)
BDBM50591132
PNG
(CHEMBL5182222)
Show SMILES OC[C@H]1O[C@H](Sc2cncc(Br)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 3.17E+3n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50591130
PNG
(CHEMBL5181579)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-9


(Homo sapiens (Human))
BDBM50591131
PNG
(CHEMBL5193805)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(C#N)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 4.28E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair