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Compile Data Set for Download or QSAR

Found 418 hits with Last Name = 'hopfinger' and Initial = 'aj'   
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
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147896
PNG
(((S)-2-Carbamoyl-3,4,5-trihydroxy-6-hydroxymethyl-...)
Show SMILES COC(=O)N[C@@]1(OC(CO)C(O)C(O)C1O)C(N)=O
Show InChI InChI=1S/C9H16N2O8/c1-18-8(17)11-9(7(10)16)6(15)5(14)4(13)3(2-12)19-9/h3-6,12-15H,2H2,1H3,(H2,10,16)(H,11,17)/t3?,4?,5?,6?,9-/m0/s1
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1.60E+4n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50240802
PNG
(1-N-ACETYL-BETA-D-GLUCOSAMINE | CHEMBL335315 | N-(...)
Show SMILES CC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C8H15NO6/c1-3(11)9-8-7(14)6(13)5(12)4(2-10)15-8/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1
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3.20E+4n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50422220
PNG
(CHEMBL334587)
Show SMILES CCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C9H17NO6/c1-2-5(12)10-9-8(15)7(14)6(13)4(3-11)16-9/h4,6-9,11,13-15H,2-3H2,1H3,(H,10,12)/t4-,6-,7+,8-,9-/m1/s1
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3.90E+4n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147901
PNG
(2-Bromo-N-((R)-3,4,5-trihydroxy-6-hydroxymethyl-te...)
Show SMILES OCC1O[C@@H](NC(=O)CBr)C(O)C(O)C1O
Show InChI InChI=1S/C8H14BrNO6/c9-1-4(12)10-8-7(15)6(14)5(13)3(2-11)16-8/h3,5-8,11,13-15H,1-2H2,(H,10,12)/t3?,5?,6?,7?,8-/m1/s1
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4.40E+4n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50422216
PNG
(CHEMBL336310)
Show SMILES OC[C@H]1O[C@@H](NC(=O)CCl)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C8H14ClNO6/c9-1-4(12)10-8-7(15)6(14)5(13)3(2-11)16-8/h3,5-8,11,13-15H,1-2H2,(H,10,12)/t3-,5-,6+,7-,8-/m1/s1
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4.50E+4n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50240801
PNG
(CHEMBL131967 | N-((2R,3R,4S,5S,6R)-3,4,5-trihydrox...)
Show SMILES OC[C@H]1O[C@@H](NC(=O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C13H17NO6/c15-6-8-9(16)10(17)11(18)13(20-8)14-12(19)7-4-2-1-3-5-7/h1-5,8-11,13,15-18H,6H2,(H,14,19)/t8-,9-,10+,11-,13-/m1/s1
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8.10E+4n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50422223
PNG
(CHEMBL423714)
Show SMILES CCCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C10H19NO6/c1-2-3-6(13)11-10-9(16)8(15)7(14)5(4-12)17-10/h5,7-10,12,14-16H,2-4H2,1H3,(H,11,13)/t5-,7-,8+,9-,10-/m1/s1
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9.40E+4n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50363870
PNG
(CHEMBL132020)
Show SMILES NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C7H14N2O6/c8-7(14)9-6-5(13)4(12)3(11)2(1-10)15-6/h2-6,10-13H,1H2,(H3,8,9,14)/t2-,3-,4+,5-,6-/m1/s1
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1.40E+5n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147917
PNG
((R)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-py...)
Show SMILES CNC(=O)[C@@H]1OC(CO)C(O)C(O)C1O
Show InChI InChI=1S/C8H15NO6/c1-9-8(14)7-6(13)5(12)4(11)3(2-10)15-7/h3-7,10-13H,2H2,1H3,(H,9,14)/t3?,4?,5?,6?,7-/m1/s1
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1.60E+5n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147928
PNG
(((R)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-p...)
Show SMILES OCC1O[C@@H](NC(=O)OCc2ccccc2)C(O)C(O)C1O
Show InChI InChI=1S/C14H19NO7/c16-6-9-10(17)11(18)12(19)13(22-9)15-14(20)21-7-8-4-2-1-3-5-8/h1-5,9-13,16-19H,6-7H2,(H,15,20)/t9?,10?,11?,12?,13-/m1/s1
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3.50E+5n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147912
PNG
((S)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-py...)
Show SMILES NC(=O)[C@H]1OC(CO)C(O)C(O)C1O
Show InChI InChI=1S/C7H13NO6/c8-7(13)6-5(12)4(11)3(10)2(1-9)14-6/h2-6,9-12H,1H2,(H2,8,13)/t2?,3?,4?,5?,6-/m0/s1
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3.70E+5n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147924
PNG
(((R)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-p...)
Show SMILES [NH3+]CC(=O)N[C@@H]1OC(CO)C(O)C(O)C1O
Show InChI InChI=1S/C8H16N2O6/c9-1-4(12)10-8-7(15)6(14)5(13)3(2-11)16-8/h3,5-8,11,13-15H,1-2,9H2,(H,10,12)/p+1/t3?,5?,6?,7?,8-/m1/s1
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3.70E+5n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147898
PNG
((R)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-py...)
Show SMILES NNC(=O)[C@@H]1OC(CO)C(O)C(O)C1O
Show InChI InChI=1S/C7H14N2O6/c8-9-7(14)6-5(13)4(12)3(11)2(1-10)15-6/h2-6,10-13H,1,8H2,(H,9,14)/t2?,3?,4?,5?,6-/m1/s1
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4.00E+5n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147890
PNG
((R)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-py...)
Show SMILES NC(=O)[C@@H]1OC(CO)C(O)C(O)C1O
Show InChI InChI=1S/C7H13NO6/c8-7(13)6-5(12)4(11)3(10)2(1-9)14-6/h2-6,9-12H,1H2,(H2,8,13)/t2?,3?,4?,5?,6-/m1/s1
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4.40E+5n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50422219
PNG
(CHEMBL133222)
Show SMILES CC(=O)NCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C10H18N2O7/c1-4(14)11-2-6(15)12-10-9(18)8(17)7(16)5(3-13)19-10/h5,7-10,13,16-18H,2-3H2,1H3,(H,11,14)(H,12,15)/t5-,7-,8+,9-,10-/m1/s1
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9.90E+5n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147921
PNG
((S)-2-Hydroxymethyl-6-mercapto-tetrahydro-pyran-3,...)
Show SMILES OCC1O[C@@H](S)C(O)C(O)C1O
Show InChI InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2?,3?,4?,5?,6-/m0/s1
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1.00E+6n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147905
PNG
((R)-2,6-Bis-hydroxymethyl-tetrahydro-pyran-3,4,5-t...)
Show SMILES OCC1O[C@H](CO)C(O)C(O)C1O
Show InChI InChI=1S/C7H14O6/c8-1-3-5(10)7(12)6(11)4(2-9)13-3/h3-12H,1-2H2/t3-,4?,5?,6?,7?/m1/s1
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1.50E+6n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147883
PNG
((S)-6-Hydroxymethyl-tetrahydro-pyran-2,3,4,5-tetra...)
Show SMILES OCC1O[C@H](O)C(O)C(O)C1O
Show InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2?,3?,4?,5?,6-/m0/s1
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1.70E+6n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50422212
PNG
(CHEMBL132462)
Show SMILES CNNC(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C8H16N2O6/c1-9-10-8(15)7-6(14)5(13)4(12)3(2-11)16-7/h3-7,9,11-14H,2H2,1H3,(H,10,15)/t3-,4-,5+,6-,7-/m1/s1
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1.80E+6n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50422213
PNG
(CHEMBL134001)
Show SMILES OC[C@H]1S[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
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2.00E+6n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147913
PNG
((R)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-py...)
Show SMILES OCCNC(=O)[C@@H]1OC(CO)C(O)C(O)C1O
Show InChI InChI=1S/C9H17NO7/c11-2-1-10-9(16)8-7(15)6(14)5(13)4(3-12)17-8/h4-8,11-15H,1-3H2,(H,10,16)/t4?,5?,6?,7?,8-/m1/s1
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2.60E+6n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147918
PNG
((R)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-py...)
Show SMILES COC(=O)[C@@H]1OC(CO)C(O)C(O)C1O
Show InChI InChI=1S/C8H14O7/c1-14-8(13)7-6(12)5(11)4(10)3(2-9)15-7/h3-7,9-12H,2H2,1H3/t3?,4?,5?,6?,7-/m1/s1
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2.80E+6n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147915
PNG
((S)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-py...)
Show SMILES NNC(=O)[C@H]1OC(CO)C(O)C(O)C1O
Show InChI InChI=1S/C7H14N2O6/c8-9-7(14)6-5(13)4(12)3(11)2(1-10)15-6/h2-6,10-13H,1,8H2,(H,9,14)/t2?,3?,4?,5?,6-/m0/s1
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3.00E+6n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50422221
PNG
(CHEMBL133751)
Show SMILES OC[C@H]1O[C@@H](SCC(=O)Nc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C14H19NO6S/c16-6-9-11(18)12(19)13(20)14(21-9)22-7-10(17)15-8-4-2-1-3-5-8/h1-5,9,11-14,16,18-20H,6-7H2,(H,15,17)/t9-,11-,12+,13-,14+/m1/s1
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3.60E+6n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147920
PNG
((R)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-py...)
Show SMILES OCC1O[C@H](C(O)C(O)C1O)C(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C13H17NO7/c15-5-8-9(17)10(18)11(19)12(21-8)13(20)14-6-1-3-7(16)4-2-6/h1-4,8-12,15-19H,5H2,(H,14,20)/t8?,9?,10?,11?,12-/m1/s1
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4.40E+6n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147902
PNG
(2-((S)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro...)
Show SMILES [NH3+]CC[C@@H]1OC(CO)C(O)C(O)C1O
Show InChI InChI=1S/C8H17NO5/c9-2-1-4-6(11)8(13)7(12)5(3-10)14-4/h4-8,10-13H,1-3,9H2/p+1/t4-,5?,6?,7?,8?/m0/s1
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4.50E+6n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147889
PNG
((R)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-py...)
Show SMILES OCC1O[C@H](C(O)C(O)C1O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C13H17NO6/c15-6-8-9(16)10(17)11(18)12(20-8)13(19)14-7-4-2-1-3-5-7/h1-5,8-12,15-18H,6H2,(H,14,19)/t8?,9?,10?,11?,12-/m1/s1
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5.40E+6n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147887
PNG
((S)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-py...)
Show SMILES OCC1O[C@@H](C(O)C(O)C1O)C(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C13H17NO7/c15-5-8-9(17)10(18)11(19)12(21-8)13(20)14-6-1-3-7(16)4-2-6/h1-4,8-12,15-19H,5H2,(H,14,20)/t8?,9?,10?,11?,12-/m0/s1
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5.60E+6n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147910
PNG
((S)-2-Azidomethyl-6-hydroxymethyl-tetrahydro-pyran...)
Show SMILES OCC1O[C@@](O)(CN=[N+]=[N-])C(O)C(O)C1O
Show InChI InChI=1S/C7H13N3O6/c8-10-9-2-7(15)6(14)5(13)4(12)3(1-11)16-7/h3-6,11-15H,1-2H2/t3?,4?,5?,6?,7-/m0/s1
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7.40E+6n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM34103
PNG
(D-glucose | dextrose | glucose)
Show SMILES OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1
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7.40E+6n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147916
PNG
(((S)-2,3,4,5-Tetrahydroxy-6-hydroxymethyl-tetrahyd...)
Show SMILES OCC1O[C@@](O)(CC#N)C(O)C(O)C1O
Show InChI InChI=1S/C8H13NO6/c9-2-1-8(14)7(13)6(12)5(11)4(3-10)15-8/h4-7,10-14H,1,3H2/t4?,5?,6?,7?,8-/m0/s1
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7.60E+6n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147906
PNG
((R)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-py...)
Show SMILES OCC1O[C@H](C(O)C(O)C1O)C(=O)NCC(F)(F)F
Show InChI InChI=1S/C9H14F3NO6/c10-9(11,12)2-13-8(18)7-6(17)5(16)4(15)3(1-14)19-7/h3-7,14-17H,1-2H2,(H,13,18)/t3?,4?,5?,6?,7-/m1/s1
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8.10E+6n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147923
PNG
(((S)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-p...)
Show SMILES OCC1O[C@@H](CC#N)C(O)C(O)C1O
Show InChI InChI=1S/C8H13NO5/c9-2-1-4-6(11)8(13)7(12)5(3-10)14-4/h4-8,10-13H,1,3H2/t4-,5?,6?,7?,8?/m0/s1
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9.00E+6n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147909
PNG
((S)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-py...)
Show SMILES OCC1O[C@@H](C(O)C(O)C1O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C13H17NO6/c15-6-8-9(16)10(17)11(18)12(20-8)13(19)14-7-4-2-1-3-5-7/h1-5,8-12,15-18H,6H2,(H,14,19)/t8?,9?,10?,11?,12-/m0/s1
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1.26E+7n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147897
PNG
((S)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-py...)
Show SMILES OCC1O[C@@H](C(O)C(O)C1O)C([O-])=O
Show InChI InChI=1S/C7H12O7/c8-1-2-3(9)4(10)5(11)6(14-2)7(12)13/h2-6,8-11H,1H2,(H,12,13)/p-1/t2?,3?,4?,5?,6-/m0/s1
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1.52E+7n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147907
PNG
((S)-2,6-Bis-hydroxymethyl-tetrahydro-pyran-2,3,4,5...)
Show SMILES OCC1O[C@@](O)(CO)C(O)C(O)C1O
Show InChI InChI=1S/C7H14O7/c8-1-3-4(10)5(11)6(12)7(13,2-9)14-3/h3-6,8-13H,1-2H2/t3?,4?,5?,6?,7-/m0/s1
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1.58E+7n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147894
PNG
((S)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-py...)
Show SMILES [NH3+]C[C@@H]1OC(CO)C(O)C(O)C1O
Show InChI InChI=1S/C7H15NO5/c8-1-3-5(10)7(12)6(11)4(2-9)13-3/h3-7,9-12H,1-2,8H2/p+1/t3-,4?,5?,6?,7?/m0/s1
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1.68E+7n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147908
PNG
((S)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-py...)
Show SMILES OCCNC(=O)[C@H]1OC(CO)C(O)C(O)C1O
Show InChI InChI=1S/C9H17NO7/c11-2-1-10-9(16)8-7(15)6(14)5(13)4(3-12)17-8/h4-8,11-15H,1-3H2,(H,10,16)/t4?,5?,6?,7?,8-/m0/s1
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1.69E+7n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50422218
PNG
(CHEMBL130754)
Show SMILES OC[C@H]1O[C@@H](SCC(=O)Nc2ccc(F)cc2F)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C14H17F2NO6S/c15-6-1-2-8(7(16)3-6)17-10(19)5-24-14-13(22)12(21)11(20)9(4-18)23-14/h1-3,9,11-14,18,20-22H,4-5H2,(H,17,19)/t9-,11-,12+,13-,14+/m1/s1
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1.89E+7n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50422215
PNG
(CHEMBL134228)
Show SMILES NC(=O)CS[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C8H15NO6S/c9-4(11)2-16-8-7(14)6(13)5(12)3(1-10)15-8/h3,5-8,10,12-14H,1-2H2,(H2,9,11)/t3-,5-,6+,7-,8+/m1/s1
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2.11E+7n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147904
PNG
((R)-2-Azidomethyl-6-hydroxymethyl-tetrahydro-pyran...)
Show SMILES OCC1O[C@H](CN=[N+]=[N-])C(O)C(O)C1O
Show InChI InChI=1S/C7H13N3O5/c8-10-9-1-3-5(12)7(14)6(13)4(2-11)15-3/h3-7,11-14H,1-2H2/t3-,4?,5?,6?,7?/m1/s1
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2.24E+7n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147925
PNG
((S)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-py...)
Show SMILES COC(=O)[C@H]1OC(CO)C(O)C(O)C1O
Show InChI InChI=1S/C8H14O7/c1-14-8(13)7-6(12)5(11)4(10)3(2-9)15-7/h3-7,9-12H,2H2,1H3/t3?,4?,5?,6?,7-/m0/s1
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2.42E+7n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147927
PNG
((R)-2-Hydroxymethyl-6-methoxy-tetrahydro-pyran-3,4...)
Show SMILES CO[C@@H]1OC(CO)C(O)C(O)C1O
Show InChI InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3?,4?,5?,6?,7-/m1/s1
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2.47E+7n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147886
PNG
((S)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-py...)
Show SMILES OCC1O[C@@H](C(O)C(O)C1O)C(=O)NCc1ccc(F)cc1F
Show InChI InChI=1S/C14H17F2NO6/c15-7-2-1-6(8(16)3-7)4-17-14(22)13-12(21)11(20)10(19)9(5-18)23-13/h1-3,9-13,18-21H,4-5H2,(H,17,22)/t9?,10?,11?,12?,13-/m0/s1
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2.72E+7n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147884
PNG
((R)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-py...)
Show SMILES [NH3+]C[C@H]1OC(CO)C(O)C(O)C1O
Show InChI InChI=1S/C7H15NO5/c8-1-3-5(10)7(12)6(11)4(2-9)13-3/h3-7,9-12H,1-2,8H2/p+1/t3-,4?,5?,6?,7?/m1/s1
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3.45E+7n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147900
PNG
((S)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-py...)
Show SMILES CNC(=O)[C@H]1OC(CO)C(O)C(O)C1O
Show InChI InChI=1S/C8H15NO6/c1-9-8(14)7-6(13)5(12)4(11)3(2-10)15-7/h3-7,10-13H,2H2,1H3,(H,9,14)/t3?,4?,5?,6?,7-/m0/s1
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3.67E+7n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50147926
PNG
((R)-2-Hydroxymethyl-6-methyl-tetrahydro-pyran-3,4,...)
Show SMILES C[C@H]1OC(CO)C(O)C(O)C1O
Show InChI InChI=1S/C7H14O5/c1-3-5(9)7(11)6(10)4(2-8)12-3/h3-11H,2H2,1H3/t3-,4?,5?,6?,7?/m1/s1
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5.31E+7n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50005463
PNG
((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1
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n/an/a 0.0794n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r|
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 0.430n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against acetylcholinesterase


J Med Chem 35: 584-9 (1992)


BindingDB Entry DOI: 10.7270/Q20G3J3J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50367639
PNG
(CHEMBL1907855)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1F |r,c:9|
Show InChI InChI=1S/C25H19FN4O2/c1-30-21-13-7-4-10-17(21)22(16-9-3-5-11-18(16)26)28-23(25(30)32)29-24(31)20-14-15-8-2-6-12-19(15)27-20/h2-14,23,27H,1H3,(H,29,31)/t23-/m1/s1
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n/an/a 0.603n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
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