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Compile Data Set for Download or QSAR

Found 103 hits Enz. Inhib. hit(s) with Target = 'Sorbitol dehydrogenase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50118710
PNG
(1-(4-{4-[2-(2,4-Dimethyl-imidazol-1-yl)-pyrimidin-...)
Show SMILES C[C@@H](O)c1nccc(n1)N1[C@@H](C)CN(C[C@H]1C)c1ccnc(n1)-n1cc(C)nc1C
Show InChI InChI=1S/C21H28N8O/c1-13-10-28(17(5)24-13)21-23-9-6-18(26-21)27-11-14(2)29(15(3)12-27)19-7-8-22-20(25-19)16(4)30/h6-10,14-16,30H,11-12H2,1-5H3/t14-,15+,16-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% for in vitro activity against human SDH (sorbitol dehydrogenase)


J Med Chem 45: 4398-401 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50118706
PNG
((S)-1-(4-{2,6-Dimethyl-4-[2-(4-methyl-piperazin-1-...)
Show SMILES C[C@@H](O)c1nccc(n1)N1[C@@H](C)CN(C[C@H]1C)c1ccnc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C21H32N8O/c1-15-13-28(14-16(2)29(15)19-6-7-22-20(24-19)17(3)30)18-5-8-23-21(25-18)27-11-9-26(4)10-12-27/h5-8,15-17,30H,9-14H2,1-4H3/t15-,16+,17-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% for in vitro activity against human SDH (sorbitol dehydrogenase)


J Med Chem 45: 4398-401 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50113497
PNG
(1-(4-{(2S,6R)-4-[2-((R)-1-Hydroxy-ethyl)-pyrimidin...)
Show SMILES C[C@@H](O)c1nccc(n1)N1C[C@H](C)N([C@H](C)C1)c1ccnc(n1)C(C)=O
Show InChI InChI=1S/C18H24N6O2/c1-11-9-23(15-5-7-19-17(21-15)13(3)25)10-12(2)24(11)16-6-8-20-18(22-16)14(4)26/h5-8,11-13,25H,9-10H2,1-4H3/t11-,12+,13-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition against human recombinant sorbitol dehydrogenase


Bioorg Med Chem Lett 12: 1477-80 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50118708
PNG
(1-{4-[2,6-Dimethyl-4-(4-phenyl-[1,3,5]triazin-2-yl...)
Show SMILES C[C@@H](O)c1nccc(n1)N1[C@@H](C)CN(C[C@H]1C)c1ncnc(n1)-c1ccccc1
Show InChI InChI=1S/C21H25N7O/c1-14-11-27(21-24-13-23-20(26-21)17-7-5-4-6-8-17)12-15(2)28(14)18-9-10-22-19(25-18)16(3)29/h4-10,13-16,29H,11-12H2,1-3H3/t14-,15+,16-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% for in vitro activity against human SDH (sorbitol dehydrogenase)


J Med Chem 45: 4398-401 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50118709
PNG
(1-{4-[2,6-Dimethyl-4-(4-methyl-[1,3,5]triazin-2-yl...)
Show SMILES C[C@@H](O)c1nccc(n1)N1[C@@H](C)CN(C[C@H]1C)c1ncnc(C)n1
Show InChI InChI=1S/C16H23N7O/c1-10-7-22(16-19-9-18-13(4)20-16)8-11(2)23(10)14-5-6-17-15(21-14)12(3)24/h5-6,9-12,24H,7-8H2,1-4H3/t10-,11+,12-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% for in vitro activity against human SDH (sorbitol dehydrogenase)


J Med Chem 45: 4398-401 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108732
PNG
(1-{4-[4-(3-Methyl-quinoxalin-2-yl)-piperazin-1-yl]...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1nc2ccccc2nc1C
Show InChI InChI=1S/C19H22N6O/c1-13-19(22-16-6-4-3-5-15(16)21-13)25-11-9-24(10-12-25)17-7-8-20-18(23-17)14(2)26/h3-8,14,26H,9-12H2,1-2H3/t14-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108762
PNG
(1-(4-{4-[2-(2-Hydroxy-ethyl)-pyrimidin-4-yl]-2,6-d...)
Show SMILES C[C@@H](O)c1nccc(n1)N1[C@@H](C)CN(C[C@H]1C)c1ccnc(CCO)n1
Show InChI InChI=1S/C18H26N6O2/c1-12-10-23(16-4-7-19-15(21-16)6-9-25)11-13(2)24(12)17-5-8-20-18(22-17)14(3)26/h4-5,7-8,12-14,25-26H,6,9-11H2,1-3H3/t12-,13+,14-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50113494
PNG
((R)-1-(4-{(3S,5R)-4-[2-((R)-1-Hydroxy-ethyl)-pyrim...)
Show SMILES C[C@@H](O)c1nccc(n1)N1C[C@H](C)N([C@H](C)C1)c1ccnc(n1)[C@@H](C)O
Show InChI InChI=1S/C18H26N6O2/c1-11-9-23(15-5-7-19-17(21-15)13(3)25)10-12(2)24(11)16-6-8-20-18(22-16)14(4)26/h5-8,11-14,25-26H,9-10H2,1-4H3/t11-,12+,13-,14-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition against human recombinant sorbitol dehydrogenase


Bioorg Med Chem Lett 12: 1477-80 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50113496
PNG
((S)-1-(4-{(3S,5R)-4-[2-((R)-1-Hydroxy-ethyl)-pyrim...)
Show SMILES C[C@H](O)c1nccc(n1)N1C[C@H](C)N([C@H](C)C1)c1ccnc(n1)[C@@H](C)O
Show InChI InChI=1S/C18H26N6O2/c1-11-9-23(15-5-7-19-17(21-15)13(3)25)10-12(2)24(11)16-6-8-20-18(22-16)14(4)26/h5-8,11-14,25-26H,9-10H2,1-4H3/t11-,12+,13-,14+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro activity against human SDH (sorbitol dehydrogenase)


J Med Chem 45: 4398-401 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108754
PNG
(1-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-py...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C17H19N5OS/c1-12(23)16-18-7-6-15(19-16)21-8-10-22(11-9-21)17-13-4-2-3-5-14(13)24-20-17/h2-7,12,23H,8-11H2,1H3/t12-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108758
PNG
(1-(4-{4-[2-(2-Hydroxy-ethyl)-pyrimidin-4-yl]-2-met...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(C[C@H]1C)c1ccnc(CCO)n1
Show InChI InChI=1S/C17H24N6O2/c1-12-11-22(15-3-6-18-14(20-15)5-10-24)8-9-23(12)16-4-7-19-17(21-16)13(2)25/h3-4,6-7,12-13,24-25H,5,8-11H2,1-2H3/t12-,13-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50118712
PNG
(1-(4-{2,6-Dimethyl-4-[2-(4-methyl-imidazol-1-yl)-p...)
Show SMILES C[C@@H](O)c1nccc(n1)N1[C@@H](C)CN(C[C@H]1C)c1ccnc(n1)-n1cnc(C)c1
Show InChI InChI=1S/C20H26N8O/c1-13-9-27(12-23-13)20-22-8-5-17(25-20)26-10-14(2)28(15(3)11-26)18-6-7-21-19(24-18)16(4)29/h5-9,12,14-16,29H,10-11H2,1-4H3/t14-,15+,16-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% for in vitro activity against human SDH (sorbitol dehydrogenase)


J Med Chem 45: 4398-401 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50118711
PNG
(1-{4-[4-(4,6-Dimethyl-[1,3,5]triazin-2-yl)-2,6-dim...)
Show SMILES C[C@@H](O)c1nccc(n1)N1[C@@H](C)CN(C[C@H]1C)c1nc(C)nc(C)n1
Show InChI InChI=1S/C17H25N7O/c1-10-8-23(17-20-13(4)19-14(5)21-17)9-11(2)24(10)15-6-7-18-16(22-15)12(3)25/h6-7,10-12,25H,8-9H2,1-5H3/t10-,11+,12-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% for in vitro activity against human SDH (sorbitol dehydrogenase)


J Med Chem 45: 4398-401 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50113498
PNG
((R)-1-(4-{(3S,5R)-4-[2-((S)-1-Hydroxy-ethyl)-pyrim...)
Show SMILES C[C@@H](O)c1nccc(n1)N1C[C@H](C)N([C@H](C)C1)c1ccnc(n1)[C@H](C)O
Show InChI InChI=1S/C18H26N6O2/c1-11-9-23(15-5-7-19-17(21-15)13(3)25)10-12(2)24(11)16-6-8-20-18(22-16)14(4)26/h5-8,11-14,25-26H,9-10H2,1-4H3/t11-,12+,13-,14+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition against human recombinant Sorbitol dehydrogenase


Bioorg Med Chem Lett 12: 1477-80 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50113493
PNG
(1-(4-{(3S,5R)-4-[2-((R)-1-Hydroxy-ethyl)-pyrimidin...)
Show SMILES C[C@@H](O)c1nccc(n1)N1[C@@H](C)CN(C[C@H]1C)c1ccnc(n1)C(C)=O
Show InChI InChI=1S/C18H24N6O2/c1-11-9-23(15-5-7-19-17(21-15)13(3)25)10-12(2)24(11)16-6-8-20-18(22-16)14(4)26/h5-8,11-12,14,26H,9-10H2,1-4H3/t11-,12+,14-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition against human recombinant sorbitol dehydrogenase


Bioorg Med Chem Lett 12: 1477-80 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108765
PNG
(1-{4-[4-(4-Hydroxymethyl-6-methyl-pyrimidin-2-yl)-...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1nc(C)cc(CO)n1
Show InChI InChI=1S/C16H22N6O2/c1-11-9-13(10-23)19-16(18-11)22-7-5-21(6-8-22)14-3-4-17-15(20-14)12(2)24/h3-4,9,12,23-24H,5-8,10H2,1-2H3/t12-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108724
PNG
(1-{4-[4-(4,6-Dimethyl-pyrimidin-2-yl)-piperazin-1-...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1nc(C)cc(C)n1
Show InChI InChI=1S/C16H22N6O/c1-11-10-12(2)19-16(18-11)22-8-6-21(7-9-22)14-4-5-17-15(20-14)13(3)23/h4-5,10,13,23H,6-9H2,1-3H3/t13-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108742
PNG
(1-[4-(3-Methyl-4-oxazolo[5,4-c]pyridin-2-yl-pipera...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN([C@@H](C)C1)c1nc2ccncc2o1
Show InChI InChI=1S/C17H20N6O2/c1-11-10-22(15-4-6-19-16(21-15)12(2)24)7-8-23(11)17-20-13-3-5-18-9-14(13)25-17/h3-6,9,11-12,24H,7-8,10H2,1-2H3/t11-,12+/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108717
PNG
(1-[4-(4-Oxazolo[5,4-c]pyridin-2-yl-piperazin-1-yl)...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1nc2ccncc2o1
Show InChI InChI=1S/C16H18N6O2/c1-11(23)15-18-5-3-14(20-15)21-6-8-22(9-7-21)16-19-12-2-4-17-10-13(12)24-16/h2-5,10-11,23H,6-9H2,1H3/t11-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50102724
PNG
(4-[2-(1-Hydroxy-ethyl)-pyrimidin-4-yl]-piperazine-...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)S(=O)(=O)N(C)C
Show InChI InChI=1S/C12H21N5O3S/c1-10(18)12-13-5-4-11(14-12)16-6-8-17(9-7-16)21(19,20)15(2)3/h4-5,10,18H,6-9H2,1-3H3/t10-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human SDH


J Med Chem 44: 2695-700 (2001)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50113491
PNG
(1-(4-{(3S,5R)-4-[2-(1-Hydroxy-ethyl)-pyrimidin-4-y...)
Show SMILES CC(O)c1nccc(n1)N1C[C@H](C)N([C@H](C)C1)c1ccnc(n1)C(C)O
Show InChI InChI=1S/C18H26N6O2/c1-11-9-23(15-5-7-19-17(21-15)13(3)25)10-12(2)24(11)16-6-8-20-18(22-16)14(4)26/h5-8,11-14,25-26H,9-10H2,1-4H3/t11-,12+,13?,14?
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n/an/a 28n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition against human recombinant Sorbitol dehydrogenase


Bioorg Med Chem Lett 12: 1477-80 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108722
PNG
(1-{4-[4-(2,6-Dimethyl-pyrimidin-4-yl)-piperazin-1-...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1cc(C)nc(C)n1
Show InChI InChI=1S/C16H22N6O/c1-11-10-15(19-13(3)18-11)22-8-6-21(7-9-22)14-4-5-17-16(20-14)12(2)23/h4-5,10,12,23H,6-9H2,1-3H3/t12-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108734
PNG
(1-[4-(4-Oxazolo[5,4-b]pyridin-2-yl-piperazin-1-yl)...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1nc2cccnc2o1
Show InChI InChI=1S/C16H18N6O2/c1-11(23)14-17-6-4-13(20-14)21-7-9-22(10-8-21)16-19-12-3-2-5-18-15(12)24-16/h2-6,11,23H,7-10H2,1H3/t11-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50113496
PNG
((S)-1-(4-{(3S,5R)-4-[2-((R)-1-Hydroxy-ethyl)-pyrim...)
Show SMILES C[C@H](O)c1nccc(n1)N1C[C@H](C)N([C@H](C)C1)c1ccnc(n1)[C@@H](C)O
Show InChI InChI=1S/C18H26N6O2/c1-11-9-23(15-5-7-19-17(21-15)13(3)25)10-12(2)24(11)16-6-8-20-18(22-16)14(4)26/h5-8,11-14,25-26H,9-10H2,1-4H3/t11-,12+,13-,14+/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition against human recombinant sorbitol dehydrogenase


Bioorg Med Chem Lett 12: 1477-80 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108741
PNG
(1-[4-(4-Isoquinolin-1-yl-piperazin-1-yl)-pyrimidin...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1nccc2ccccc12
Show InChI InChI=1S/C19H21N5O/c1-14(25)18-20-9-7-17(22-18)23-10-12-24(13-11-23)19-16-5-3-2-4-15(16)6-8-21-19/h2-9,14,25H,10-13H2,1H3/t14-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108750
PNG
(1-[4-(4-Benzooxazol-2-yl-piperazin-1-yl)-pyrimidin...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1nc2ccccc2o1
Show InChI InChI=1S/C17H19N5O2/c1-12(23)16-18-7-6-15(20-16)21-8-10-22(11-9-21)17-19-13-4-2-3-5-14(13)24-17/h2-7,12,23H,8-11H2,1H3/t12-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108759
PNG
(1-[4-(4-Quinoxalin-2-yl-piperazin-1-yl)-pyrimidin-...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C18H20N6O/c1-13(25)18-19-7-6-16(22-18)23-8-10-24(11-9-23)17-12-20-14-4-2-3-5-15(14)21-17/h2-7,12-13,25H,8-11H2,1H3/t13-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108746
PNG
(1-[4-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-pyri...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1noc2ccccc12
Show InChI InChI=1S/C17H19N5O2/c1-12(23)16-18-7-6-15(19-16)21-8-10-22(11-9-21)17-13-4-2-3-5-14(13)24-20-17/h2-7,12,23H,8-11H2,1H3/t12-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108738
PNG
(1-(4-{4-[2-(2-Hydroxy-ethyl)-pyrimidin-4-yl]-piper...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1ccnc(CCO)n1
Show InChI InChI=1S/C16H22N6O2/c1-12(24)16-18-6-3-15(20-16)22-9-7-21(8-10-22)14-2-5-17-13(19-14)4-11-23/h2-3,5-6,12,23-24H,4,7-11H2,1H3/t12-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50118707
PNG
(1-{4-[2,6-Dimethyl-4-(4-methyl-6-phenyl-[1,3,5]tri...)
Show SMILES C[C@@H](O)c1nccc(n1)N1[C@@H](C)CN(C[C@H]1C)c1nc(C)nc(n1)-c1ccccc1
Show InChI InChI=1S/C22H27N7O/c1-14-12-28(13-15(2)29(14)19-10-11-23-20(26-19)16(3)30)22-25-17(4)24-21(27-22)18-8-6-5-7-9-18/h5-11,14-16,30H,12-13H2,1-4H3/t14-,15+,16-/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% for in vitro activity against human SDH (sorbitol dehydrogenase)


J Med Chem 45: 4398-401 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108760
PNG
(1-[4-(4-Quinolin-2-yl-piperazin-1-yl)-pyrimidin-2-...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1ccc2ccccc2n1
Show InChI InChI=1S/C19H21N5O/c1-14(25)19-20-9-8-18(22-19)24-12-10-23(11-13-24)17-7-6-15-4-2-3-5-16(15)21-17/h2-9,14,25H,10-13H2,1H3/t14-/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108763
PNG
(1-(4-{4-[2-(2-Hydroxy-ethyl)-pyrimidin-4-yl]-2-met...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(C[C@@H]1C)c1ccnc(CCO)n1
Show InChI InChI=1S/C17H24N6O2/c1-12-11-22(15-3-6-18-14(20-15)5-10-24)8-9-23(12)16-4-7-19-17(21-16)13(2)25/h3-4,6-7,12-13,24-25H,5,8-11H2,1-2H3/t12-,13+/m0/s1
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n/an/a 59n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108726
PNG
(CHEMBL146805 | [4-(4-Benzo[d]isothiazol-3-yl-piper...)
Show SMILES OCc1nccc(n1)N1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C16H17N5OS/c22-11-14-17-6-5-15(18-14)20-7-9-21(10-8-20)16-12-3-1-2-4-13(12)23-19-16/h1-6,22H,7-11H2
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n/an/a 64n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108751
PNG
(1-{4-[4-(4-Phenyl-pyrimidin-2-yl)-piperazin-1-yl]-...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1nccc(n1)-c1ccccc1
Show InChI InChI=1S/C20H22N6O/c1-15(27)19-21-10-8-18(24-19)25-11-13-26(14-12-25)20-22-9-7-17(23-20)16-5-3-2-4-6-16/h2-10,15,27H,11-14H2,1H3/t15-/m1/s1
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n/an/a 67n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108752
PNG
(1-{4-[4-(4,6-Diisopropyl-pyrimidin-2-yl)-piperazin...)
Show SMILES CC(C)c1cc(nc(n1)N1CCN(CC1)c1ccnc(n1)[C@@H](C)O)C(C)C
Show InChI InChI=1S/C20H30N6O/c1-13(2)16-12-17(14(3)4)23-20(22-16)26-10-8-25(9-11-26)18-6-7-21-19(24-18)15(5)27/h6-7,12-15,27H,8-11H2,1-5H3/t15-/m1/s1
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n/an/a 72n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108749
PNG
(1-{4-[4-(4,6-Diethyl-pyrimidin-2-yl)-piperazin-1-y...)
Show SMILES CCc1cc(CC)nc(n1)N1CCN(CC1)c1ccnc(n1)[C@@H](C)O
Show InChI InChI=1S/C18H26N6O/c1-4-14-12-15(5-2)21-18(20-14)24-10-8-23(9-11-24)16-6-7-19-17(22-16)13(3)25/h6-7,12-13,25H,4-5,8-11H2,1-3H3/t13-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108743
PNG
(1-[4-(4-Oxazolo[4,5-c]pyridin-2-yl-piperazin-1-yl)...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1nc2cnccc2o1
Show InChI InChI=1S/C16H18N6O2/c1-11(23)15-18-5-3-14(20-15)21-6-8-22(9-7-21)16-19-12-10-17-4-2-13(12)24-16/h2-5,10-11,23H,6-9H2,1H3/t11-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108747
PNG
(1-{4-[4-(4-Hydroxymethyl-6-methyl-pyrimidin-2-yl)-...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN([C@@H](C)C1)c1nc(C)cc(CO)n1
Show InChI InChI=1S/C17H24N6O2/c1-11-8-14(10-24)20-17(19-11)23-7-6-22(9-12(23)2)15-4-5-18-16(21-15)13(3)25/h4-5,8,12-13,24-25H,6-7,9-10H2,1-3H3/t12-,13+/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108757
PNG
(CHEMBL151605 | [4-(4-Quinolin-2-yl-piperazin-1-yl)...)
Show SMILES OCc1nccc(n1)N1CCN(CC1)c1ccc2ccccc2n1
Show InChI InChI=1S/C18H19N5O/c24-13-16-19-8-7-18(21-16)23-11-9-22(10-12-23)17-6-5-14-3-1-2-4-15(14)20-17/h1-8,24H,9-13H2
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n/an/a 87n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108756
PNG
(CHEMBL151268 | {4-[4-(4,6-Dimethyl-pyrimidin-2-yl)...)
Show SMILES Cc1cc(C)nc(n1)N1CCN(CC1)c1ccnc(CO)n1
Show InChI InChI=1S/C15H20N6O/c1-11-9-12(2)18-15(17-11)21-7-5-20(6-8-21)14-3-4-16-13(10-22)19-14/h3-4,9,22H,5-8,10H2,1-2H3
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n/an/a 93n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108766
PNG
(1-[4-(3-Methyl-4-quinoxalin-2-yl-piperazin-1-yl)-p...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN([C@@H](C)C1)c1cnc2ccccc2n1
Show InChI InChI=1S/C19H22N6O/c1-13-12-24(17-7-8-20-19(23-17)14(2)26)9-10-25(13)18-11-21-15-5-3-4-6-16(15)22-18/h3-8,11,13-14,26H,9-10,12H2,1-2H3/t13-,14+/m0/s1
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n/an/a 99n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108769
PNG
(1-{4-[4-(4-Hydroxymethyl-6-methyl-pyrimidin-2-yl)-...)
Show SMILES C[C@@H](O)c1nccc(n1)N1[C@@H](C)CN(C[C@H]1C)c1nc(C)cc(CO)n1
Show InChI InChI=1S/C18H26N6O2/c1-11-7-15(10-25)21-18(20-11)23-8-12(2)24(13(3)9-23)16-5-6-19-17(22-16)14(4)26/h5-7,12-14,25-26H,8-10H2,1-4H3/t12-,13+,14-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108729
PNG
(1-{4-[4-(4-Methyl-pyrimidin-2-yl)-piperazin-1-yl]-...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1nccc(C)n1
Show InChI InChI=1S/C15H20N6O/c1-11-3-5-17-15(18-11)21-9-7-20(8-10-21)13-4-6-16-14(19-13)12(2)22/h3-6,12,22H,7-10H2,1-2H3/t12-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108730
PNG
(1-{4-[4-(6,7-Dichloro-quinoxalin-2-yl)-piperazin-1...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1cnc2cc(Cl)c(Cl)cc2n1
Show InChI InChI=1S/C18H18Cl2N6O/c1-11(27)18-21-3-2-16(24-18)25-4-6-26(7-5-25)17-10-22-14-8-12(19)13(20)9-15(14)23-17/h2-3,8-11,27H,4-7H2,1H3/t11-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108736
PNG
(CHEMBL357712 | [4-(4-Benzo[d]isoxazol-3-yl-piperaz...)
Show SMILES OCc1nccc(n1)N1CCN(CC1)c1noc2ccccc12
Show InChI InChI=1S/C16H17N5O2/c22-11-14-17-6-5-15(18-14)20-7-9-21(10-8-20)16-12-3-1-2-4-13(12)23-19-16/h1-6,22H,7-11H2
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n/an/a 120n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108731
PNG
(1-{4-[4-(4-Hydroxymethyl-6-methyl-pyrimidin-2-yl)-...)
Show SMILES C[C@@H](O)c1nccc(n1)N1C[C@H](C)N([C@H](C)C1)c1nc(C)cc(CO)n1
Show InChI InChI=1S/C18H26N6O2/c1-11-7-15(10-25)21-18(20-11)24-12(2)8-23(9-13(24)3)16-5-6-19-17(22-16)14(4)26/h5-7,12-14,25-26H,8-10H2,1-4H3/t12-,13+,14-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108721
PNG
(CHEMBL423753 | {4-[4-(2,6-Dimethyl-pyrimidin-4-yl)...)
Show SMILES Cc1cc(nc(C)n1)N1CCN(CC1)c1ccnc(CO)n1
Show InChI InChI=1S/C15H20N6O/c1-11-9-15(18-12(2)17-11)21-7-5-20(6-8-21)14-3-4-16-13(10-22)19-14/h3-4,9,22H,5-8,10H2,1-2H3
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n/an/a 140n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108764
PNG
(1-{4-[4-(4-Hydroxymethyl-6-methyl-pyrimidin-2-yl)-...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN([C@H](C)C1)c1nc(C)cc(CO)n1
Show InChI InChI=1S/C17H24N6O2/c1-11-8-14(10-24)20-17(19-11)23-7-6-22(9-12(23)2)15-4-5-18-16(21-15)13(3)25/h4-5,8,12-13,24-25H,6-7,9-10H2,1-3H3/t12-,13-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108748
PNG
(CHEMBL358327 | [4-(4-Isoquinolin-1-yl-piperazin-1-...)
Show SMILES OCc1nccc(n1)N1CCN(CC1)c1nccc2ccccc12
Show InChI InChI=1S/C18H19N5O/c24-13-16-19-8-6-17(21-16)22-9-11-23(12-10-22)18-15-4-2-1-3-14(15)5-7-20-18/h1-8,24H,9-13H2
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n/an/a 150n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50108728
PNG
(1-{4-[4-(4-Hydroxymethyl-6-methyl-pyrimidin-2-yl)-...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(C[C@H]1C)c1nc(C)cc(CO)n1
Show InChI InChI=1S/C17H24N6O2/c1-11-8-14(10-24)20-17(19-11)22-6-7-23(12(2)9-22)15-4-5-18-16(21-15)13(3)25/h4-5,8,12-13,24-25H,6-7,9-10H2,1-3H3/t12-,13-/m1/s1
PDB
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n/an/a 170n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)

More data for this
Ligand-Target Pair
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