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Compile Data Set for Download or QSAR

Found 371 hits with Last Name = 'kawatkar' and Initial = 'sp'   
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
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84465
PNG
(Benzylation of mannostatin A, 1e)
Show SMILES CS[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]1NCc1ccc(Br)cc1 |r|
Show InChI InChI=1S/C13H18BrNO3S/c1-19-13-9(10(16)11(17)12(13)18)15-6-7-2-4-8(14)5-3-7/h2-5,9-13,15-18H,6H2,1H3/t9-,10+,11+,12+,13+/m0/s1
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50 -43.3n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM50078117
PNG
((1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTAN...)
Show SMILES CS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO3S/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+/m0/s1
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90 -41.8n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84464
PNG
(Benzylation of mannostatin A, 1d)
Show SMILES CS[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]1NCc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C13H18ClNO3S/c1-19-13-9(10(16)11(17)12(13)18)15-6-7-2-4-8(14)5-3-7/h2-5,9-13,15-18H,6H2,1H3/t9-,10+,11+,12+,13+/m0/s1
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100 -41.6n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84466
PNG
(Benzylation of mannostatin A, 1f)
Show SMILES COc1ccc(CN[C@H]2[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2SC)cc1 |r|
Show InChI InChI=1S/C14H21NO4S/c1-19-9-5-3-8(4-6-9)7-15-10-11(16)12(17)13(18)14(10)20-2/h3-6,10-18H,7H2,1-2H3/t10-,11+,12+,13+,14+/m0/s1
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100 -41.6n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84462
PNG
(Benzylation of mannostatin A, 1b)
Show SMILES CS[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]1NCc1ccccc1 |r|
Show InChI InChI=1S/C13H19NO3S/c1-18-13-9(10(15)11(16)12(13)17)14-7-8-5-3-2-4-6-8/h2-6,9-17H,7H2,1H3/t9-,10+,11+,12+,13+/m0/s1
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110 -41.3n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84467
PNG
(Benzylation of mannostatin A, 1g)
Show SMILES CS[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]1NCc1ccc(cc1)C(=O)OCC=C |r|
Show InChI InChI=1S/C17H23NO5S/c1-3-8-23-17(22)11-6-4-10(5-7-11)9-18-12-13(19)14(20)15(21)16(12)24-2/h3-7,12-16,18-21H,1,8-9H2,2H3/t12-,13+,14+,15+,16+/m0/s1
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140 -40.7n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84474
PNG
(Aminocyclopentitetrol, 2g)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O)[C@@H](NCc2ccc(cc2)C(=O)OCC=C)[C@H]1O |r|
Show InChI InChI=1S/C16H21NO6/c1-2-7-23-16(22)10-5-3-9(4-6-10)8-17-11-12(18)14(20)15(21)13(11)19/h2-6,11-15,17-21H,1,7-8H2/t11-,12+,13-,14+,15-
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160 -40.3n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84463
PNG
(Benzylation of mannostatin A, 1c)
Show SMILES CS[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]1NCc1ccc(F)cc1 |r|
Show InChI InChI=1S/C13H18FNO3S/c1-19-13-9(10(16)11(17)12(13)18)15-6-7-2-4-8(14)5-3-7/h2-5,9-13,15-18H,6H2,1H3/t9-,10+,11+,12+,13+/m0/s1
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170 -40.2n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM50078117
PNG
((1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTAN...)
Show SMILES CS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO3S/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+/m0/s1
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210 -39.6n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84470
PNG
(Aminocyclopentitetrol, 2c)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O)[C@@H](NCc2ccc(F)cc2)[C@H]1O |r|
Show InChI InChI=1S/C12H16FNO4/c13-7-3-1-6(2-4-7)5-14-8-9(15)11(17)12(18)10(8)16/h1-4,8-12,14-18H,5H2/t8-,9+,10-,11+,12-
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330 -38.5n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84472
PNG
(Aminocyclopentitetrol, 2e)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O)[C@@H](NCc2ccc(Br)cc2)[C@H]1O |r|
Show InChI InChI=1S/C12H16BrNO4/c13-7-3-1-6(2-4-7)5-14-8-9(15)11(17)12(18)10(8)16/h1-4,8-12,14-18H,5H2/t8-,9+,10-,11+,12-
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330 -38.5n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84469
PNG
(Aminocyclopentitetrol, 2b)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O)[C@@H](NCc2ccccc2)[C@H]1O |r|
Show InChI InChI=1S/C12H17NO4/c14-9-8(10(15)12(17)11(9)16)13-6-7-4-2-1-3-5-7/h1-5,8-17H,6H2/t8-,9+,10-,11+,12-
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450 -37.7n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84473
PNG
(Aminocyclopentitetrol, 2f)
Show SMILES COc1ccc(CN[C@H]2[C@@H](O)[C@@H](O)[C@@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C13H19NO5/c1-19-8-4-2-7(3-5-8)6-14-9-10(15)12(17)13(18)11(9)16/h2-5,9-18H,6H2,1H3/t9-,10+,11-,12+,13-
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480 -37.5n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84465
PNG
(Benzylation of mannostatin A, 1e)
Show SMILES CS[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]1NCc1ccc(Br)cc1 |r|
Show InChI InChI=1S/C13H18BrNO3S/c1-19-13-9(10(16)11(17)12(13)18)15-6-7-2-4-8(14)5-3-7/h2-5,9-13,15-18H,6H2,1H3/t9-,10+,11+,12+,13+/m0/s1
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510 -37.4n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84466
PNG
(Benzylation of mannostatin A, 1f)
Show SMILES COc1ccc(CN[C@H]2[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2SC)cc1 |r|
Show InChI InChI=1S/C14H21NO4S/c1-19-9-5-3-8(4-6-9)7-15-10-11(16)12(17)13(18)14(10)20-2/h3-6,10-18H,7H2,1-2H3/t10-,11+,12+,13+,14+/m0/s1
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520 -37.3n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84463
PNG
(Benzylation of mannostatin A, 1c)
Show SMILES CS[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]1NCc1ccc(F)cc1 |r|
Show InChI InChI=1S/C13H18FNO3S/c1-19-13-9(10(16)11(17)12(13)18)15-6-7-2-4-8(14)5-3-7/h2-5,9-13,15-18H,6H2,1H3/t9-,10+,11+,12+,13+/m0/s1
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530 -37.3n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84471
PNG
(Aminocyclopentitetrol, 2d)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O)[C@@H](NCc2ccc(Cl)cc2)[C@H]1O |r|
Show InChI InChI=1S/C12H16ClNO4/c13-7-3-1-6(2-4-7)5-14-8-9(15)11(17)12(18)10(8)16/h1-4,8-12,14-18H,5H2/t8-,9+,10-,11+,12-
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670 -36.7n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84462
PNG
(Benzylation of mannostatin A, 1b)
Show SMILES CS[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]1NCc1ccccc1 |r|
Show InChI InChI=1S/C13H19NO3S/c1-18-13-9(10(15)11(16)12(13)17)14-7-8-5-3-2-4-6-8/h2-6,9-17H,7H2,1H3/t9-,10+,11+,12+,13+/m0/s1
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880 -36.0n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84464
PNG
(Benzylation of mannostatin A, 1d)
Show SMILES CS[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]1NCc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C13H18ClNO3S/c1-19-13-9(10(16)11(17)12(13)18)15-6-7-2-4-8(14)5-3-7/h2-5,9-13,15-18H,6H2,1H3/t9-,10+,11+,12+,13+/m0/s1
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910 -35.9n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84467
PNG
(Benzylation of mannostatin A, 1g)
Show SMILES CS[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]1NCc1ccc(cc1)C(=O)OCC=C |r|
Show InChI InChI=1S/C17H23NO5S/c1-3-8-23-17(22)11-6-4-10(5-7-11)9-18-12-13(19)14(20)15(21)16(12)24-2/h3-7,12-16,18-21H,1,8-9H2,2H3/t12-,13+,14+,15+,16+/m0/s1
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3.22E+3 -32.6n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84474
PNG
(Aminocyclopentitetrol, 2g)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O)[C@@H](NCc2ccc(cc2)C(=O)OCC=C)[C@H]1O |r|
Show InChI InChI=1S/C16H21NO6/c1-2-7-23-16(22)10-5-3-9(4-6-10)8-17-11-12(18)14(20)15(21)13(11)19/h2-6,11-15,17-21H,1,7-8H2/t11-,12+,13-,14+,15-
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4.40E+3 -31.8n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84470
PNG
(Aminocyclopentitetrol, 2c)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O)[C@@H](NCc2ccc(F)cc2)[C@H]1O |r|
Show InChI InChI=1S/C12H16FNO4/c13-7-3-1-6(2-4-7)5-14-8-9(15)11(17)12(18)10(8)16/h1-4,8-12,14-18H,5H2/t8-,9+,10-,11+,12-
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6.00E+3 -31.0n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84473
PNG
(Aminocyclopentitetrol, 2f)
Show SMILES COc1ccc(CN[C@H]2[C@@H](O)[C@@H](O)[C@@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C13H19NO5/c1-19-8-4-2-7(3-5-8)6-14-9-10(15)12(17)13(18)11(9)16/h2-5,9-18H,6H2,1H3/t9-,10+,11-,12+,13-
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6.60E+3 -30.8n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84468
PNG
(Mannostatin analogue, 4b | Meso-aminocyclopentitet...)
Show SMILES N[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C5H11NO4/c6-1-2(7)4(9)5(10)3(1)8/h1-5,7-10H,6H2/t1-,2+,3-,4+,5-
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6.60E+3 -30.8n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84472
PNG
(Aminocyclopentitetrol, 2e)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O)[C@@H](NCc2ccc(Br)cc2)[C@H]1O |r|
Show InChI InChI=1S/C12H16BrNO4/c13-7-3-1-6(2-4-7)5-14-8-9(15)11(17)12(18)10(8)16/h1-4,8-12,14-18H,5H2/t8-,9+,10-,11+,12-
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7.60E+3 -30.4n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84471
PNG
(Aminocyclopentitetrol, 2d)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O)[C@@H](NCc2ccc(Cl)cc2)[C@H]1O |r|
Show InChI InChI=1S/C12H16ClNO4/c13-7-3-1-6(2-4-7)5-14-8-9(15)11(17)12(18)10(8)16/h1-4,8-12,14-18H,5H2/t8-,9+,10-,11+,12-
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8.10E+3 -30.2n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84469
PNG
(Aminocyclopentitetrol, 2b)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O)[C@@H](NCc2ccccc2)[C@H]1O |r|
Show InChI InChI=1S/C12H17NO4/c14-9-8(10(15)12(17)11(9)16)13-6-7-4-2-1-3-5-7/h1-5,8-17H,6H2/t8-,9+,10-,11+,12-
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1.00E+4 -29.7n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84468
PNG
(Mannostatin analogue, 4b | Meso-aminocyclopentitet...)
Show SMILES N[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C5H11NO4/c6-1-2(7)4(9)5(10)3(1)8/h1-5,7-10H,6H2/t1-,2+,3-,4+,5-
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5.00E+4 -25.5n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50546397
PNG
(CHEMBL4776352)
Show SMILES CN(C)Cc1cnn(c1)-c1ccnc2[nH]c(nc12)-c1cn(C)c2ccc(cc12)S(C)(=O)=O
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n/an/a 0.0770n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SYK (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127393
BindingDB Entry DOI: 10.7270/Q28W3HVM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50546402
PNG
(CHEMBL4762995)
Show SMILES CN(C)Cc1cn(nc1C)-c1ccnc2[nH]c(nc12)-c1cn(C)c2ccc(cc12)-c1nnc(C)o1
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n/an/a 0.0980n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SYK (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127393
BindingDB Entry DOI: 10.7270/Q28W3HVM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50546398
PNG
(CHEMBL4754597)
Show SMILES CNC(=O)c1ccc2n(C)cc(-c3nc4c(ccnc4[nH]3)-n3cc(CN(C)C)cn3)c2c1
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n/an/a 0.150n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SYK (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127393
BindingDB Entry DOI: 10.7270/Q28W3HVM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50546401
PNG
(CHEMBL4776842)
Show SMILES CN(C)Cc1cn(nc1C)-c1ccnc2[nH]c(nc12)-c1cn(C)c2ccc(NC(C)=O)cc12
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n/an/a 0.170n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SYK (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127393
BindingDB Entry DOI: 10.7270/Q28W3HVM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50546400
PNG
(CHEMBL4752127)
Show SMILES CNC(=O)c1cc2c(cn(C)c2cn1)-c1nc2c(ccnc2[nH]1)-n1cc(CN(C)C)cn1
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n/an/a 0.180n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SYK (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127393
BindingDB Entry DOI: 10.7270/Q28W3HVM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50546394
PNG
(CHEMBL4759636)
Show SMILES CN(C)Cc1cc(nn1C)-c1ccnc(Nc2ccn3cnc(-c4nnc(C)o4)c3c2)n1
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n/an/a 0.210n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SYK (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127393
BindingDB Entry DOI: 10.7270/Q28W3HVM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50546407
PNG
(CHEMBL4740065)
Show SMILES Cn1ccc2c(cccc12)-c1nc2c(ccnc2[nH]1)-n1cc(N[C@@H]2CCOC[C@@H]2N)cn1 |r|
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n/an/a 0.210n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SYK (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127393
BindingDB Entry DOI: 10.7270/Q28W3HVM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50546393
PNG
(CHEMBL4751083)
Show SMILES CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-n3cc(CN(C)C)c(C)n3)cc12
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n/an/a 0.310n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SYK (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127393
BindingDB Entry DOI: 10.7270/Q28W3HVM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50546403
PNG
(CHEMBL4779316)
Show SMILES Cn1ccc2c(cccc12)-c1nc2c(ccnc2[nH]1)-n1cc(CN2CC[C@@H](O)C2)cn1 |r|
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n/an/a 0.480n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SYK (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127393
BindingDB Entry DOI: 10.7270/Q28W3HVM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50546395
PNG
(CHEMBL4796370)
Show SMILES CN(C)Cc1cn(nc1C)-c1ccnc2[nH]c(nc12)-c1cccc2n(C)ccc12
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n/an/a 0.830n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SYK (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127393
BindingDB Entry DOI: 10.7270/Q28W3HVM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50546404
PNG
(CHEMBL4791746)
Show SMILES Cc1nn(cc1CN1CC[C@@H](O)C1)-c1ccnc2[nH]c(nc12)-c1cccc2n(C)ccc12 |r|
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n/an/a 0.910n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SYK (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127393
BindingDB Entry DOI: 10.7270/Q28W3HVM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50546405
PNG
(CHEMBL4748597)
Show SMILES Cn1ccc2c(cccc12)-c1nc2c(ccnc2[nH]1)-n1cc(CN2CC[C@H](O)C2)cn1 |r|
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SYK (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127393
BindingDB Entry DOI: 10.7270/Q28W3HVM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50546399
PNG
(CHEMBL4745530)
Show SMILES CN(C)Cc1cnn(c1)-c1ccnc2[nH]c(nc12)-c1cn(C)c2ccc(cc12)C(=O)N(C)C
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n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SYK (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127393
BindingDB Entry DOI: 10.7270/Q28W3HVM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50135130
PNG
(CHEMBL3746463)
Show SMILES COc1cc(F)c(cc1OC)-c1nc2c(NCC3CCNCC3)c(Cl)cnc2[nH]1
Show InChI InChI=1S/C20H23ClFN5O2/c1-28-15-7-12(14(22)8-16(15)29-2)19-26-18-17(13(21)10-25-20(18)27-19)24-9-11-3-5-23-6-4-11/h7-8,10-11,23H,3-6,9H2,1-2H3,(H2,24,25,26,27)
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SYK (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127393
BindingDB Entry DOI: 10.7270/Q28W3HVM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50546396
PNG
(CHEMBL4750942)
Show SMILES CN(C)Cc1cc(nn1C)-c1ccnc2[nH]c(nc12)-c1cccc2n(C)ccc12
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n/an/a 2.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SYK (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127393
BindingDB Entry DOI: 10.7270/Q28W3HVM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488667
PNG
((R)-N-(3-(2-(3- cyclopropylsulfonyl)- 2-fluorophen...)
Show SMILES C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(=O)(=O)C2CC2)ncc1C |r|
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n/an/a<3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488663
PNG
((R)-N-(3-(2-(3- (ethylsulfonyl)-2- fluorophenylami...)
Show SMILES CCS(=O)(=O)c1cccc(Nc2ncc(C)c(n2)-c2c[nH]c3c(NC(=O)[C@@H](C)N4CCN(C)CC4)cccc23)c1F |r|
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n/an/a<3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488662
PNG
((R)-N-(3-(2-(2-fluoro-3- (methylsulfonyl)phenyl am...)
Show SMILES C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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n/an/a<3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488661
PNG
((R)-N-(3-(2-((2-fluoro- 3- (methylsulfonyl)phenyl)...)
Show SMILES C[C@@H](N1CCN(CCO)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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n/an/a<3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50575300
PNG
(CHEMBL4851414)
Show SMILES CN(C)C(=O)c1cc(-c2cnc(NCc3c4CCOc4ccc3F)c3cn[nH]c(=O)c23)n(C)n1
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EED in human G-401 cells assessed as reduction in H3K27 trimethylation incubated for 48 hrs by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01161
BindingDB Entry DOI: 10.7270/Q2MP5737
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM489174
PNG
((R)-2-((R)-2,4- dimethylpiperazin-1- yl)-N-(3-(5-f...)
Show SMILES COC[C@@H](N1CCN(C)C[C@H]1C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
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n/an/a<3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488735
PNG
((S)-2-((3R,5R)-3,5- dimethylpiperazin-1- yl)-N-(3-...)
Show SMILES CC[C@H](N1C[C@@H](C)N[C@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a<3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
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