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PubMed code 11784155

Compile data set for download or QSAR
Found 64 hits of Enzyme Inhibition Constant Data   
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
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		BDBM50108745
PNG
(1-[4-(4-Oxazolo[4,5-b]pyridin-2-yl-piperazin-1-yl)...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1nc2ncccc2o1
Show InChI InChI=1S/C16H18N6O2/c1-11(23)14-18-6-4-13(19-14)21-7-9-22(10-8-21)16-20-15-12(24-16)3-2-5-17-15/h2-6,11,23H,7-10H2,1H3/t11-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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
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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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		BDBM50108737
PNG
(1-[4-(2,6-Dimethyl-4-quinoxalin-2-yl-piperazin-1-y...)
Show SMILES C[C@@H](O)c1nccc(n1)N1[C@@H](C)CN(C[C@H]1C)c1cnc2ccccc2n1
Show InChI InChI=1S/C20H24N6O/c1-13-11-25(19-10-22-16-6-4-5-7-17(16)23-19)12-14(2)26(13)18-8-9-21-20(24-18)15(3)27/h4-10,13-15,27H,11-12H2,1-3H3/t13-,14+,15-/m1/s1
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n/an/a 180n/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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		BDBM50108767
PNG
(CHEMBL148647 | [4-(4-Benzooxazol-2-yl-piperazin-1-...)
Show SMILES OCc1nccc(n1)N1CCN(CC1)c1nc2ccccc2o1
Show InChI InChI=1S/C16H17N5O2/c22-11-14-17-6-5-15(19-14)20-7-9-21(10-8-20)16-18-12-3-1-2-4-13(12)23-16/h1-6,22H,7-11H2
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n/an/a 190n/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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		BDBM50108720
PNG
(1-{4-[4-(4,6-Bis-trifluoromethyl-pyrimidin-2-yl)-p...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1nc(cc(n1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H16F6N6O/c1-9(29)13-23-3-2-12(26-13)27-4-6-28(7-5-27)14-24-10(15(17,18)19)8-11(25-14)16(20,21)22/h2-3,8-9,29H,4-7H2,1H3/t9-/m1/s1
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n/an/a 190n/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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		BDBM50108735
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+/m0/s1
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n/an/a 200n/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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		BDBM50108723
PNG
(1-{4-[4-(4-Methyl-6-phenyl-pyrimidin-2-yl)-piperaz...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1nc(C)cc(n1)-c1ccccc1
Show InChI InChI=1S/C21H24N6O/c1-15-14-18(17-6-4-3-5-7-17)24-21(23-15)27-12-10-26(11-13-27)19-8-9-22-20(25-19)16(2)28/h3-9,14,16,28H,10-13H2,1-2H3/t16-/m1/s1
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n/an/a 220n/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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		BDBM50102723
PNG
(4-(2-Hydroxymethyl-pyrimidin-4-yl)-piperazine-1-su...)
Show SMILES CN(C)S(=O)(=O)N1CCN(CC1)c1ccnc(CO)n1
Show InChI InChI=1S/C11H19N5O3S/c1-14(2)20(18,19)16-7-5-15(6-8-16)11-3-4-12-10(9-17)13-11/h3-4,17H,5-9H2,1-2H3
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n/an/a 240n/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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sorbitol dehydrogenase


(Homo sapiens (Human))		BDBM50108715
PNG
(CHEMBL348663 | {4-[4-(2-Hydroxymethyl-pyrimidin-4-...)
Show SMILES OCc1nccc(n1)N1CCN(CC1)c1ccnc(CO)n1
Show InChI InChI=1S/C14H18N6O2/c21-9-11-15-3-1-13(17-11)19-5-7-20(8-6-19)14-2-4-16-12(10-22)18-14/h1-4,21-22H,5-10H2
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n/an/a 260n/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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		BDBM50108744
PNG
(1-[4-(2,6-Dimethyl-4-oxazolo[5,4-c]pyridin-2-yl-pi...)
Show SMILES C[C@@H](O)c1nccc(n1)N1[C@@H](C)CN(C[C@H]1C)c1nc2ccncc2o1
Show InChI InChI=1S/C18H22N6O2/c1-11-9-23(18-21-14-4-6-19-8-15(14)26-18)10-12(2)24(11)16-5-7-20-17(22-16)13(3)25/h4-8,11-13,25H,9-10H2,1-3H3/t11-,12+,13-/m1/s1
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n/an/a 270n/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)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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 330n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition in sheep liver sorbitol dehydrogenase (s-SDH)

J Med Chem 45: 511-28 (2002)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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 350n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition in sheep liver sorbitol dehydrogenase (s-SDH)

J Med Chem 45: 511-28 (2002)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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 410n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition in sheep liver sorbitol dehydrogenase (s-SDH)

J Med Chem 45: 511-28 (2002)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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 430n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition in sheep liver sorbitol dehydrogenase (s-SDH)

J Med Chem 45: 511-28 (2002)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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 480n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition in sheep liver sorbitol dehydrogenase (s-SDH)

J Med Chem 45: 511-28 (2002)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		BDBM50108740
PNG
(CHEMBL148935 | {4-[4-(4,6-Dichloro-[1,3,5]triazin-...)
Show SMILES OCc1nccc(n1)N1CCN(CC1)c1nc(Cl)nc(Cl)n1
Show InChI InChI=1S/C12H13Cl2N7O/c13-10-17-11(14)19-12(18-10)21-5-3-20(4-6-21)9-1-2-15-8(7-22)16-9/h1-2,22H,3-7H2
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n/an/a 490n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition in sheep liver sorbitol dehydrogenase (s-SDH)

J Med Chem 45: 511-28 (2002)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		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 590n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition in sheep liver sorbitol dehydrogenase (s-SDH)

J Med Chem 45: 511-28 (2002)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		BDBM50108767
PNG
(CHEMBL148647 | [4-(4-Benzooxazol-2-yl-piperazin-1-...)
Show SMILES OCc1nccc(n1)N1CCN(CC1)c1nc2ccccc2o1
Show InChI InChI=1S/C16H17N5O2/c22-11-14-17-6-5-15(19-14)20-7-9-21(10-8-20)16-18-12-3-1-2-4-13(12)23-16/h1-6,22H,7-11H2
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n/an/a 740n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition in sheep liver sorbitol dehydrogenase (s-SDH)

J Med Chem 45: 511-28 (2002)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		BDBM50108719
PNG
(CHEMBL148822 | [4-(4-Quinazolin-4-yl-piperazin-1-y...)
Show SMILES OCc1nccc(n1)N1CCN(CC1)c1ncnc2ccccc12
Show InChI InChI=1S/C17H18N6O/c24-11-15-18-6-5-16(21-15)22-7-9-23(10-8-22)17-13-3-1-2-4-14(13)19-12-20-17/h1-6,12,24H,7-11H2
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n/an/a 890n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition in sheep liver sorbitol dehydrogenase (s-SDH)

J Med Chem 45: 511-28 (2002)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		BDBM50108755
PNG
(CHEMBL151753 | [4-(4-Pyrimidin-2-yl-piperazin-1-yl...)
Show SMILES OCc1nccc(n1)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C13H16N6O/c20-10-11-14-5-2-12(17-11)18-6-8-19(9-7-18)13-15-3-1-4-16-13/h1-5,20H,6-10H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition in sheep liver sorbitol dehydrogenase (s-SDH)

J Med Chem 45: 511-28 (2002)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		BDBM50108715
PNG
(CHEMBL348663 | {4-[4-(2-Hydroxymethyl-pyrimidin-4-...)
Show SMILES OCc1nccc(n1)N1CCN(CC1)c1ccnc(CO)n1
Show InChI InChI=1S/C14H18N6O2/c21-9-11-15-3-1-13(17-11)19-5-7-20(8-6-19)14-2-4-16-12(10-22)18-14/h1-4,21-22H,5-10H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition in sheep liver sorbitol dehydrogenase (s-SDH)

J Med Chem 45: 511-28 (2002)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		BDBM50108725
PNG
(CHEMBL148835 | [4-(2,3,5,6-Tetrahydro-[1,2']bipyra...)
Show SMILES OCc1nccc(n1)N1CCN(CC1)c1cnccn1
Show InChI InChI=1S/C13H16N6O/c20-10-11-15-2-1-12(17-11)18-5-7-19(8-6-18)13-9-14-3-4-16-13/h1-4,9,20H,5-8,10H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition in sheep liver sorbitol dehydrogenase (s-SDH)

J Med Chem 45: 511-28 (2002)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		BDBM50108739
PNG
(CHEMBL147407 | [4-(4-Pyrimidin-4-yl-piperazin-1-yl...)
Show SMILES OCc1nccc(n1)N1CCN(CC1)c1ccncn1
Show InChI InChI=1S/C13H16N6O/c20-9-11-15-4-2-13(17-11)19-7-5-18(6-8-19)12-1-3-14-10-16-12/h1-4,10,20H,5-9H2
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n/an/a 2.30E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition in sheep liver sorbitol dehydrogenase (s-SDH)

J Med Chem 45: 511-28 (2002)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		BDBM50108733
PNG
(CHEMBL148585 | [4-(4-[1,3,5]Triazin-2-yl-piperazin...)
Show SMILES OCc1nccc(n1)N1CCN(CC1)c1ncncn1
Show InChI InChI=1S/C12H15N7O/c20-7-10-14-2-1-11(17-10)18-3-5-19(6-4-18)12-15-8-13-9-16-12/h1-2,8-9,20H,3-7H2
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n/an/a 2.60E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition in sheep liver sorbitol dehydrogenase (s-SDH)

J Med Chem 45: 511-28 (2002)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		BDBM50108716
PNG
(CHEMBL151033 | [4-(4-Pyridin-2-yl-piperazin-1-yl)-...)
Show SMILES OCc1nccc(n1)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C14H17N5O/c20-11-12-15-6-4-14(17-12)19-9-7-18(8-10-19)13-3-1-2-5-16-13/h1-6,20H,7-11H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition in sheep liver sorbitol dehydrogenase (s-SDH)

J Med Chem 45: 511-28 (2002)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		BDBM50108753
PNG
(CHEMBL151806 | {4-[4-(1,1-Dioxo-1H-1lambda*6*-benz...)
Show SMILES OCc1nccc(n1)N1CCN(CC1)C1=NS(=O)(=O)c2ccccc12 |t:16|
Show InChI InChI=1S/C16H17N5O3S/c22-11-14-17-6-5-15(18-14)20-7-9-21(10-8-20)16-12-3-1-2-4-13(12)25(23,24)19-16/h1-6,22H,7-11H2
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n/an/a 3.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition in sheep liver sorbitol dehydrogenase (s-SDH)

J Med Chem 45: 511-28 (2002)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		BDBM50108761
PNG
(CHEMBL148648 | [4-(4-Benzothiazol-2-yl-piperazin-1...)
Show SMILES OCc1nccc(n1)N1CCN(CC1)c1nc2ccccc2s1
Show InChI InChI=1S/C16H17N5OS/c22-11-14-17-6-5-15(19-14)20-7-9-21(10-8-20)16-18-12-3-1-2-4-13(12)23-16/h1-6,22H,7-11H2
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n/an/a 3.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition in sheep liver sorbitol dehydrogenase (s-SDH)

J Med Chem 45: 511-28 (2002)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		BDBM50108727
PNG
(CHEMBL357720 | {4-[4-(1-Ethyl-1H-benzoimidazol-2-y...)
Show SMILES CCn1c(nc2ccccc12)N1CCN(CC1)c1ccnc(CO)n1
Show InChI InChI=1S/C18H22N6O/c1-2-24-15-6-4-3-5-14(15)20-18(24)23-11-9-22(10-12-23)17-7-8-19-16(13-25)21-17/h3-8,25H,2,9-13H2,1H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition in sheep liver sorbitol dehydrogenase (s-SDH)

J Med Chem 45: 511-28 (2002)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		BDBM50108768
PNG
(CHEMBL341857 | {4-[4-(1H-Benzoimidazol-2-yl)-piper...)
Show SMILES OCc1nccc(n1)N1CCN(CC1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C16H18N6O/c23-11-14-17-6-5-15(20-14)21-7-9-22(10-8-21)16-18-12-3-1-2-4-13(12)19-16/h1-6,23H,7-11H2,(H,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition in sheep liver sorbitol dehydrogenase (s-SDH)

J Med Chem 45: 511-28 (2002)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))		BDBM50108718
PNG
(CHEMBL422143 | [4-(4-Phenyl-piperazin-1-yl)-pyrimi...)
Show SMILES OCc1nccc(n1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C15H18N4O/c20-12-14-16-7-6-15(17-14)19-10-8-18(9-11-19)13-4-2-1-3-5-13/h1-7,20H,8-12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 9.40E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition in sheep liver sorbitol dehydrogenase (s-SDH)

J Med Chem 45: 511-28 (2002)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%