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Compile Data Set for Download or QSAR

Found 61 hits with Last Name = 'kishor' 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
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50078539
PNG
(CHEMBL3414950)
Show SMILES CCCC(CCC)C(N)P(O)(O)=O
Show InChI InChI=1S/C8H20NO3P/c1-3-5-7(6-4-2)8(9)13(10,11)12/h7-8H,3-6,9H2,1-2H3,(H2,10,11,12)
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4.90E+3n/an/an/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of Human MetAP1b using Met-pNA as substrate


J Med Chem 58: 2350-7 (2015)


Article DOI: 10.1021/jm501790e
BindingDB Entry DOI: 10.7270/Q2C53NJX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50337147
PNG
((RS)-1-amino-3-cyclohexylpropylphosphonic acid | C...)
Show SMILES NC(CCC1CCCCC1)P(O)(O)=O
Show InChI InChI=1S/C9H20NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h8-9H,1-7,10H2,(H2,11,12,13)
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9.90E+3n/an/an/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of Human MetAP1b using Met-pNA as substrate


J Med Chem 58: 2350-7 (2015)


Article DOI: 10.1021/jm501790e
BindingDB Entry DOI: 10.7270/Q2C53NJX
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50078540
PNG
(CHEMBL1673077)
Show SMILES CCCC(C)C(N)P(O)(O)=O
Show InChI InChI=1S/C6H16NO3P/c1-3-4-5(2)6(7)11(8,9)10/h5-6H,3-4,7H2,1-2H3,(H2,8,9,10)
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5.48E+4n/an/an/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of Human MetAP1b using Met-pNA as substrate


J Med Chem 58: 2350-7 (2015)


Article DOI: 10.1021/jm501790e
BindingDB Entry DOI: 10.7270/Q2C53NJX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50316031
PNG
(CHEMBL1090366 | amino(phenyl)methylphosphonic acid)
Show SMILES NC(c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C7H10NO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,7H,8H2,(H2,9,10,11)
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1.12E+5n/an/an/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of Human MetAP1b using Met-pNA as substrate


J Med Chem 58: 2350-7 (2015)


Article DOI: 10.1021/jm501790e
BindingDB Entry DOI: 10.7270/Q2C53NJX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50337150
PNG
((RS)-1-amino-2-cyclohexylethylphosphonic acid | CH...)
Show SMILES NC(CC1CCCCC1)P(O)(O)=O
Show InChI InChI=1S/C8H18NO3P/c9-8(13(10,11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,9H2,(H2,10,11,12)
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>5.00E+5n/an/an/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of Human MetAP1b using Met-pNA as substrate


J Med Chem 58: 2350-7 (2015)


Article DOI: 10.1021/jm501790e
BindingDB Entry DOI: 10.7270/Q2C53NJX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50078541
PNG
(CHEMBL3414949)
Show SMILES NC(C1CCCCC1)P(O)(O)=O
Show InChI InChI=1S/C7H16NO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h6-7H,1-5,8H2,(H2,9,10,11)
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>5.00E+5n/an/an/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of Human MetAP1b using Met-pNA as substrate


J Med Chem 58: 2350-7 (2015)


Article DOI: 10.1021/jm501790e
BindingDB Entry DOI: 10.7270/Q2C53NJX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain


(Bos taurus)
BDBM50014846
PNG
((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization measured for 1 hr by fluorescence assay


Eur J Med Chem 90: 603-19 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.063
BindingDB Entry DOI: 10.7270/Q2ZG6TXF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain


(Bos taurus)
BDBM50062530
PNG
(CHEMBL3397584)
Show SMILES COc1cc(cc(OC)c1OC)C1=NOC(COCc2cn(Cc3cc(cnc3Cl)-c3ccccc3)nn2)C1 |t:13|
Show InChI InChI=1S/C28H28ClN5O5/c1-35-25-10-19(11-26(36-2)27(25)37-3)24-12-23(39-32-24)17-38-16-22-15-34(33-31-22)14-21-9-20(13-30-28(21)29)18-7-5-4-6-8-18/h4-11,13,15,23H,12,14,16-17H2,1-3H3
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n/an/a 6.80E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization measured for 1 hr by fluorescence assay


Eur J Med Chem 90: 603-19 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.063
BindingDB Entry DOI: 10.7270/Q2ZG6TXF
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain


(Bos taurus)
BDBM50062531
PNG
(CHEMBL3397585)
Show SMILES COc1cc(cc(OC)c1OC)C1=NOC(COCc2cn(Cc3cc(cnc3Cl)-c3ccc(C)cc3)nn2)C1 |t:13|
Show InChI InChI=1S/C29H30ClN5O5/c1-18-5-7-19(8-6-18)21-9-22(29(30)31-13-21)14-35-15-23(32-34-35)16-39-17-24-12-25(33-40-24)20-10-26(36-2)28(38-4)27(11-20)37-3/h5-11,13,15,24H,12,14,16-17H2,1-4H3
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n/an/a 8.10E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization measured for 1 hr by fluorescence assay


Eur J Med Chem 90: 603-19 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.063
BindingDB Entry DOI: 10.7270/Q2ZG6TXF
More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens (Human))
BDBM50546601
PNG
(CHEMBL4747153)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)CC(=O)Oc2cc(OC)cc(OC)c2)[C@H]1O |r|
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n/an/an/a 1.10E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal domain of human galectin-8 (8-154 residues) by ITC assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00602
BindingDB Entry DOI: 10.7270/Q2WH2TK5
More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens (Human))
BDBM50546602
PNG
(CHEMBL4749475)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)CC(=O)OCc2ccccc2)[C@H]1O |r|
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n/an/an/a 9.17E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal domain of human galectin-8 (8-154 residues) by ITC assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00602
BindingDB Entry DOI: 10.7270/Q2WH2TK5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-8


(Homo sapiens (Human))
BDBM50546602
PNG
(CHEMBL4749475)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)CC(=O)OCc2ccccc2)[C@H]1O |r|
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n/an/an/a 9.17E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal domain of human galectin-8 (8-154 residues) by ITC assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00602
BindingDB Entry DOI: 10.7270/Q2WH2TK5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-8


(Homo sapiens (Human))
BDBM50546603
PNG
(CHEMBL4797448)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)CC(O)=O)[C@H]1O |r|
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n/an/an/a 3.36E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal domain of human galectin-8 (8-154 residues) by ITC assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00602
BindingDB Entry DOI: 10.7270/Q2WH2TK5
More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens (Human))
BDBM50546603
PNG
(CHEMBL4797448)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)CC(O)=O)[C@H]1O |r|
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n/an/an/a 3.36E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal domain of human galectin-8 (8-154 residues) by ITC assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00602
BindingDB Entry DOI: 10.7270/Q2WH2TK5
More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens (Human))
BDBM50546604
PNG
(CHEMBL4745888)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)CC(=O)OC)[C@H]1O |r|
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n/an/an/a 2.49E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal domain of human galectin-8 (8-154 residues) by ITC assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00602
BindingDB Entry DOI: 10.7270/Q2WH2TK5
More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens (Human))
BDBM50546604
PNG
(CHEMBL4745888)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)CC(=O)OC)[C@H]1O |r|
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n/an/an/a 2.49E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal domain of human galectin-8 (8-154 residues) by ITC assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00602
BindingDB Entry DOI: 10.7270/Q2WH2TK5
More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens (Human))
BDBM50370453
PNG
(LACTOSE | Lactose, anhydrous)
Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1
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n/an/an/a 3.79E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal domain of human galectin-8 (8-154 residues) by ITC assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00602
BindingDB Entry DOI: 10.7270/Q2WH2TK5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-8


(Homo sapiens (Human))
BDBM50370453
PNG
(LACTOSE | Lactose, anhydrous)
Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1
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n/an/an/a 3.79E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal domain of human galectin-8 (8-154 residues) by ITC assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00602
BindingDB Entry DOI: 10.7270/Q2WH2TK5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-8


(Homo sapiens (Human))
BDBM50230648
PNG
(CHEMBL3764379)
Show SMILES [H][C@@]1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)O[C@H](CO)[C@H](O)[C@H](O[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O2)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]1O |r|
Show InChI InChI=1S/C23H39NO19/c1-6(28)24-11-7(29)2-23(22(37)38,42-18(11)12(31)8(30)3-25)43-19-13(32)9(4-26)40-21(16(19)35)41-17-10(5-27)39-20(36)15(34)14(17)33/h7-21,25-27,29-36H,2-5H2,1H3,(H,24,28)(H,37,38)/t7-,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19-,20+,21-,23-/m0/s1
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n/an/an/a 2.30E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal domain of human galectin-8 (8-154 residues) by ITC assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00602
BindingDB Entry DOI: 10.7270/Q2WH2TK5
More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens (Human))
BDBM50230648
PNG
(CHEMBL3764379)
Show SMILES [H][C@@]1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)O[C@H](CO)[C@H](O)[C@H](O[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O2)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]1O |r|
Show InChI InChI=1S/C23H39NO19/c1-6(28)24-11-7(29)2-23(22(37)38,42-18(11)12(31)8(30)3-25)43-19-13(32)9(4-26)40-21(16(19)35)41-17-10(5-27)39-20(36)15(34)14(17)33/h7-21,25-27,29-36H,2-5H2,1H3,(H,24,28)(H,37,38)/t7-,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19-,20+,21-,23-/m0/s1
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n/an/an/a 2.30E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal domain of human galectin-8 (8-154 residues) by ITC assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00602
BindingDB Entry DOI: 10.7270/Q2WH2TK5
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))
BDBM50605161
PNG
(CHEMBL5195652)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(Cl)cc1[N+]([O-])=O |r|
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n/an/an/a 1.40E+6n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50077225
PNG
((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1
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n/an/an/a 1.45E+6n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))
BDBM50605163
PNG
(CHEMBL5193025)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(cc1[N+]([O-])=O)C(F)(F)F |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))
BDBM50605164
PNG
(CHEMBL5202629)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1cccc(c1)[N+]([O-])=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))
BDBM50243731
PNG
((2R,3S,4S,5S,6R)-3-acetoxy-5-hydroxy-6-(hydroxymet...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C17H22O8/c1-9-4-6-11(7-5-9)16(21)25-14-13(20)12(8-18)24-17(22-3)15(14)23-10(2)19/h4-7,12-15,17-18,20H,8H2,1-3H3/t12-,13+,14+,15+,17-/m1/s1
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n/an/an/a 4.10E+6n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-3


(Homo sapiens (Human))
BDBM50605165
PNG
(CHEMBL5175908)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccccc1[N+]([O-])=O |r|
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n/an/an/a 8.00E+3n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-3


(Homo sapiens (Human))
BDBM50605161
PNG
(CHEMBL5195652)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(Cl)cc1[N+]([O-])=O |r|
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n/an/an/a 5.30E+3n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-3


(Homo sapiens (Human))
BDBM50605162
PNG
(CHEMBL5189715)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(F)cc1[N+]([O-])=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-3


(Homo sapiens (Human))
BDBM50605163
PNG
(CHEMBL5193025)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(cc1[N+]([O-])=O)C(F)(F)F |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-3


(Homo sapiens (Human))
BDBM50605164
PNG
(CHEMBL5202629)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1cccc(c1)[N+]([O-])=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-3


(Homo sapiens (Human))
BDBM50243731
PNG
((2R,3S,4S,5S,6R)-3-acetoxy-5-hydroxy-6-(hydroxymet...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C17H22O8/c1-9-4-6-11(7-5-9)16(21)25-14-13(20)12(8-18)24-17(22-3)15(14)23-10(2)19/h4-7,12-15,17-18,20H,8H2,1-3H3/t12-,13+,14+,15+,17-/m1/s1
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n/an/an/a 4.20E+5n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-4


(Homo sapiens (Human))
BDBM50605165
PNG
(CHEMBL5175908)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccccc1[N+]([O-])=O |r|
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n/an/an/a 4.40E+5n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50605161
PNG
(CHEMBL5195652)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(Cl)cc1[N+]([O-])=O |r|
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n/an/an/a 2.50E+5n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50605162
PNG
(CHEMBL5189715)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(F)cc1[N+]([O-])=O |r|
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n/an/an/a 7.10E+5n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50605163
PNG
(CHEMBL5193025)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(cc1[N+]([O-])=O)C(F)(F)F |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50605164
PNG
(CHEMBL5202629)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1cccc(c1)[N+]([O-])=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50605165
PNG
(CHEMBL5175908)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccccc1[N+]([O-])=O |r|
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n/an/an/a 4.80E+4n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50605161
PNG
(CHEMBL5195652)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(Cl)cc1[N+]([O-])=O |r|
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n/an/an/a 1.80E+4n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50605162
PNG
(CHEMBL5189715)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(F)cc1[N+]([O-])=O |r|
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n/an/an/a 6.50E+3n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50605163
PNG
(CHEMBL5193025)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(cc1[N+]([O-])=O)C(F)(F)F |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50605164
PNG
(CHEMBL5202629)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1cccc(c1)[N+]([O-])=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50243731
PNG
((2R,3S,4S,5S,6R)-3-acetoxy-5-hydroxy-6-(hydroxymet...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C17H22O8/c1-9-4-6-11(7-5-9)16(21)25-14-13(20)12(8-18)24-17(22-3)15(14)23-10(2)19/h4-7,12-15,17-18,20H,8H2,1-3H3/t12-,13+,14+,15+,17-/m1/s1
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n/an/an/a 2.90E+6n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens (Human))
BDBM50605161
PNG
(CHEMBL5195652)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(Cl)cc1[N+]([O-])=O |r|
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n/an/an/a 4.00E+6n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens (Human))
BDBM50605161
PNG
(CHEMBL5195652)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(Cl)cc1[N+]([O-])=O |r|
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n/an/an/a 4.50E+5n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens (Human))
BDBM50605162
PNG
(CHEMBL5189715)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(F)cc1[N+]([O-])=O |r|
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n/an/an/a 9.00E+5n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens (Human))
BDBM50605163
PNG
(CHEMBL5193025)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(cc1[N+]([O-])=O)C(F)(F)F |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens (Human))
BDBM50605164
PNG
(CHEMBL5202629)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1cccc(c1)[N+]([O-])=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))
BDBM50077225
PNG
((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1
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UniChem

Patents

PDB
Article
PubMed
n/an/an/a 2.40E+4n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-3


(Homo sapiens (Human))
BDBM50077225
PNG
((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/an/a 4.90E+4n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-8


(Homo sapiens (Human))
BDBM50077225
PNG
((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/an/a 6.10E+4n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
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