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Compile Data Set for Download or QSAR

Found 79 hits Enz. Inhib. hit(s) with all data for entry = 11660   
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
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637532
PNG
((3-amino-6-((1rs,2RS,3SR)-2,3- dimethylcyclopropyl...)
Show SMILES COc1ccccc1C(=O)n1nc(N)c2ccc(nc12)[C@@H]1[C@@H](C)[C@H]1C |r|
PDB

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n/an/a 13n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637564
PNG
((3-amino-6-cyclopropyl-1H- pyrazolo[3,4-b]pyridin-...)
Show SMILES Nc1nn(C(=O)c2cccnc2Cl)c2nc(ccc12)C1CC1
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n/an/a 17n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637523
PNG
(US20230382911, Example 35 | [3-amino-6-(2,5-dihydr...)
Show SMILES COc1ccccc1C(=O)n1nc(N)c2ccc(nc12)C1=CCOC1 |t:23|
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n/an/a 17n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637556
PNG
((3-amino-6-cyclopropyl-1H- pyrazolo[3,4-b]pyridin-...)
Show SMILES Cc1ncccc1C(=O)n1nc(N)c2ccc(nc12)C1CC1
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n/an/a 19n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637511
PNG
(US20230382911, Example 23 | [3-amino-6-(cyclopente...)
Show SMILES COc1ccccc1C(=O)n1nc(N)c2ccc(nc12)C1=CCCC1 |t:23|
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n/an/a 20n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637537
PNG
((3-amino-6-(2,2- difluorocyclopropyl)-1H- pyrazolo...)
Show SMILES Cc1ncccc1C(=O)n1nc(N)c2ccc(nc12)C1CC1(F)F
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n/an/a 22n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637535
PNG
(US20230382911, Example 47 | [3-amino-6-(2,5-dihydr...)
Show SMILES COc1c(F)cccc1C(=O)n1nc(N)c2ccc(nc12)C1=CCOC1 |t:24|
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n/an/a 25n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637563
PNG
((3-amino-6-cyclopropyl-1H- pyrazolo[3,4-b]pyridin-...)
Show SMILES COc1ncccc1C(=O)n1nc(N)c2ccc(nc12)C1CC1
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n/an/a 26n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637521
PNG
((3-amino-6-((1RS,2RS)-2- methylcyclopropyl)-1H- py...)
Show SMILES C[C@H]1C[C@@H]1c1ccc2c(N)nn(C(=O)c3ccccc3C)c2n1 |r|
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n/an/a 28n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637522
PNG
((3-amino-6-((1RS,2RS)-2- methylcyclopropyl)-1H-pyr...)
Show SMILES COc1ccccc1C(=O)n1nc(N)c2ccc(nc12)[C@H]1C[C@@H]1C |r|
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n/an/a 29n/an/an/an/an/an/a


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Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637565
PNG
((3-amino-6-cyclopropyl-1H- pyrazolo[3,4-b]pyridin-...)
Show SMILES Nc1nn(C(=O)c2cccnc2C(F)(F)F)c2nc(ccc12)C1CC1
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n/an/a 31n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637528
PNG
((3-amino-6-(2,2- difluorocyclopropyl)-1H- pyrazolo...)
Show SMILES COc1ccccc1C(=O)n1nc(N)c2ccc(nc12)C1CC1(F)F
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n/an/a 32n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637547
PNG
((3RS,4RS)-4-(3-amino-6- cyclopropylpyrazolo[3,4- b...)
Show SMILES C[C@@H]1[C@@H](CCNC1=O)C(=O)n1nc(N)c2ccc(nc12)C1CC1 |r|
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n/an/a 33n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637531
PNG
((3-amino-6-((1rs,2RS,3SR)-2,3- dimethylcyclopropyl...)
Show SMILES C[C@H]1[C@@H](C)[C@@H]1c1ccc2c(N)nn(C(=O)c3ccccc3C)c2n1 |r|
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n/an/a 35n/an/an/an/an/an/a


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Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637540
PNG
((3-amino-6-cyclopropyl-1H- pyrazolo[3,4-b]pyridin-...)
Show SMILES C[C@H]1OCC[C@H]1C(=O)n1nc(N)c2ccc(nc12)C1CC1 |r|
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n/an/a 35n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637540
PNG
((3-amino-6-cyclopropyl-1H- pyrazolo[3,4-b]pyridin-...)
Show SMILES C[C@H]1OCC[C@H]1C(=O)n1nc(N)c2ccc(nc12)C1CC1 |r|
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n/an/a 36n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637560
PNG
(3-(3-amino-6-cyclopropyl-1H- cyclopropyl-1H-pyrazo...)
Show SMILES COc1c(cccc1C(=O)n1nc(N)c2ccc(nc12)C1CC1)C#N
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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637548
PNG
((3-amino-6-cyclopropyl-1H- pyrazolo[3,4-b]pyridin-...)
Show SMILES CCc1ccccc1C(=O)n1nc(N)c2ccc(nc12)C1CC1
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n/an/a 37n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637552
PNG
((3-amino-6-cyclopropyl-1H- pyrazolo[3,4-b]pyridin-...)
Show SMILES CC1OCCC1C(=O)n1nc(N)c2ccc(nc12)C1CC1
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n/an/a 41n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637555
PNG
((3-amino-6-cyclopropyl-1H- pyrazolo[3,4-b]pyridin-...)
Show SMILES Nc1nn(C(=O)C2CCOCC2)c2nc(ccc12)C1CC1
PDB

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n/an/a 49n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637518
PNG
(US20230382911, Example 30 | [3-amino-6-(cyclopente...)
Show SMILES Cc1ccccc1C(=O)n1nc(N)c2ccc(nc12)C1=CCCC1 |t:22|
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n/an/a 53n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637491
PNG
((3-amino-6-(pyrrolidin-1-yl)-1H- pyrazolo[3,4-b]py...)
Show SMILES COc1ccccc1C(=O)n1nc(N)c2ccc(nc12)N1CCCC1
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n/an/a 53n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637554
PNG
(3-(3-amino-6-cyclopropyl-1H- pyrazolo[3,4-b]pyridi...)
Show SMILES Cc1c(cccc1C(=O)n1nc(N)c2ccc(nc12)C1CC1)C#N
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n/an/a 54n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637534
PNG
((3-amino-5-fluoro-6-(pyrrolidin- 1-yl)-1H-pyrazolo...)
Show SMILES COc1c(F)cccc1C(=O)n1nc(N)c2cc(F)c(nc12)N1CCCC1
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n/an/a 55n/an/an/an/an/an/a


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Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637496
PNG
((3-amino-5-chloro-6- cyclopropyl-1H-pyrazolo[3,4- ...)
Show SMILES COc1ccccc1C(=O)n1nc(N)c2cc(Cl)c(nc12)C1CC1
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n/an/a 56n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637520
PNG
((3-amino-6-cyclobutyl-1H- pyrazolo[3,4-b]pyridin-1...)
Show SMILES COc1ccccc1C(=O)n1nc(N)c2ccc(nc12)C1CCC1
PDB

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n/an/a 59n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637527
PNG
((3-amino-6-((1RS,2SR)-2- fluorocyclopropyl)-1H- py...)
Show SMILES Cc1ccccc1C(=O)n1nc(N)c2ccc(nc12)[C@H]1C[C@@H]1F |r|
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n/an/a 64n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637504
PNG
((3-amino-6-(pyrrolidin-1-yl)-1H- pyrazolo[3,4-d]py...)
Show SMILES COc1ccccc1C(=O)n1nc(N)c2cnc(nc12)N1CCCC1
PDB

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n/an/a 65n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637499
PNG
((3-amino-5-fluoro-6-(pyrrolidin- 1-yl)-1H-pyrazolo...)
Show SMILES COc1ccccc1C(=O)n1nc(N)c2cc(F)c(nc12)N1CCCC1
PDB

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n/an/a 66n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637524
PNG
(US20230382911, Example 36 | [3-amino-6-(2,5-dihydr...)
Show SMILES Cc1ccccc1C(=O)n1nc(N)c2ccc(nc12)C1=CCOC1 |t:22|
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n/an/a 67n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637515
PNG
((3-amino-6-(3,3-difluoroazetidin- 1-yl)-1H-pyrazol...)
Show SMILES COc1ccccc1C(=O)n1nc(N)c2ccc(nc12)N1CC(F)(F)C1
PDB

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n/an/a 69n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637557
PNG
(4-(3-amino-6-cyclopropyl-1H- pyrazolo[3,4-b]pyridi...)
Show SMILES Nc1nn(C(=O)C2CCNC(=O)C2)c2nc(ccc12)C1CC1
PDB

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n/an/a 79n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637533
PNG
((3-amino-6-(2,2- difluorocyclopropyl)-1H- pyrazolo...)
Show SMILES COc1c(F)cccc1C(=O)n1nc(N)c2ccc(nc12)C1CC1(F)F
PDB

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n/an/a 91n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637489
PNG
((3-amino-6-phenyl-1H- pyrazolo[3,4-b]pyridin-1-yl)...)
Show SMILES COc1ccccc1C(=O)n1nc(N)c2ccc(nc12)-c1ccccc1
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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637493
PNG
((3-amino-6-(pyrrolidin-1-yl)-1H- pyrazolo[3,4-b]py...)
Show SMILES Cc1ccccc1C(=O)n1nc(N)c2ccc(nc12)N1CCCC1
PDB

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n/an/a 94n/an/an/an/an/an/a


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Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637502
PNG
((3-amino-6-(3,3-difluoroazetidin- 1-yl)-5-fluoro-1...)
Show SMILES COc1ccccc1C(=O)n1nc(N)c2cc(F)c(nc12)N1CC(F)(F)C1
PDB

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n/an/a 95n/an/an/an/an/an/a


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Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637503
PNG
((3-amino-6-(tert-butyl)-1H- pyrazolo[3,4-b]pyridin...)
Show SMILES COc1ccccc1C(=O)n1nc(N)c2ccc(nc12)C(C)(C)C
PDB

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n/an/a 99n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637501
PNG
((3-amino-5-fluoro-6-(pyrrolidin- 1-yl)-1H-pyrazolo...)
Show SMILES Cc1ccccc1C(=O)n1nc(N)c2cc(F)c(nc12)N1CCCC1
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n/an/a 110n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637494
PNG
(US20230382911, Example 6 | [3-amino-6-(cyclohexen-...)
Show SMILES COc1ccccc1C(=O)n1nc(N)c2ccc(nc12)C1=CCCCC1 |t:23|
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Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637490
PNG
((3-amino-6-isobutyl-1H- pyrazolo[3,4-b]pyridin-1-y...)
Show SMILES COc1ccccc1C(=O)n1nc(N)c2ccc(CC(C)C)nc12
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n/an/a 110n/an/an/an/an/an/a


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Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637545
PNG
((3-amino-6-cyclopropyl-1H- pyrazolo[3,4-b]pyridin-...)
Show SMILES COc1c(F)cccc1C(=O)n1nc(N)c2ccc(nc12)C1CC1
PDB

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n/an/a 110n/an/an/an/an/an/a


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Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637514
PNG
((3-amino-6-(trifluoromethyl-1H- pyrazolo[3,4-b]pyr...)
Show SMILES COc1ccccc1C(=O)n1nc(N)c2ccc(nc12)C(F)(F)F
PDB

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n/an/a 120n/an/an/an/an/an/a


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Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637526
PNG
((3-amino-7-methyl-5,6,7,8- tetrahydro-1H-pyrazolo[...)
Show SMILES COc1ccccc1C(=O)n1nc(N)c2cc3CCC(C)Cc3nc12
PDB

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Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637495
PNG
((3-amino-6- cyclopropylpyrazolo[3,4- b]pyridin-1-y...)
Show SMILES COc1ccccc1C(=O)n1nc(N)c2ccc(nc12)C1CC1
PDB

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n/an/a 120n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637551
PNG
((3-amino-6-cyclopropyl-1H- pyrazolo[3,4-b]pyridin-...)
Show SMILES Cc1ncsc1C(=O)n1nc(N)c2ccc(nc12)C1CC1
PDB

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n/an/a 130n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637536
PNG
((3-amino-6-(1- methylcyclopropyl)-1H- pyrazolo[3,4...)
Show SMILES Cc1ccccc1C(=O)n1nc(N)c2ccc(nc12)C1(C)CC1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 130n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637549
PNG
((3-amino-6-cyclopropyl-1H- pyrazolo[3,4-b]pyridin-...)
Show SMILES Nc1nn(C(=O)c2ccccc2OC(F)F)c2nc(ccc12)C1CC1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 130n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637492
PNG
((3-amino-6-(pyrrolidin-1-yl)-1H- pyrazolo[3,4-b]py...)
Show SMILES Nc1nn(C(=O)c2ccccc2Cl)c2nc(ccc12)N1CCCC1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 140n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637509
PNG
((3-amino-7,7-dimethyl-5,6,7,8- tetrahydro-1H-pyraz...)
Show SMILES COc1ccccc1C(=O)n1nc(N)c2cc3CCC(C)(C)Cc3nc12
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 140n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2


(Human)
BDBM637500
PNG
((3-amino-5-fluoro-6-(pyrrolidin- 1-yl)-1H-pyrazolo...)
Show SMILES Nc1nn(C(=O)c2ccccc2Cl)c2nc(N3CCCC3)c(F)cc12
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 140n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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