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Compile Data Set for Download or QSAR

Found 297 hits with Last Name = 'conn' and Initial = 'el'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50341385
PNG
(CHEMBL4161567)
Show SMILES Cc1[nH]c2c(N3CCC4(CCNC4=O)CC3)c(C#N)c(nc2c1Cl)C(F)(F)F
Show InChI InChI=1S/C18H17ClF3N5O/c1-9-11(19)12-13(25-9)14(10(8-23)15(26-12)18(20,21)22)27-6-3-17(4-7-27)2-5-24-16(17)28/h25H,2-7H2,1H3,(H,24,28)
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82n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50133601
PNG
(CHEMBL3633251)
Show SMILES COc1ccc(c(OC)c1)-c1cc(=O)[nH]c(=S)n1CCO
Show InChI InChI=1S/C14H16N2O4S/c1-19-9-3-4-10(12(7-9)20-2)11-8-13(18)15-14(21)16(11)5-6-17/h3-4,7-8,17H,5-6H2,1-2H3,(H,15,18,21)
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151n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of peroxidase activity of MPO isolated from human polynuclear leukocytes using Amplex Red as substrate assessed as formation of resorufin ...


J Med Chem 58: 8513-28 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00963
BindingDB Entry DOI: 10.7270/Q2SQ926X
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50133602
PNG
(CHEMBL3633250)
Show SMILES COc1ccc(c(OC)c1)-c1cc(=O)[nH]c(=S)n1CCN
Show InChI InChI=1S/C14H17N3O3S/c1-19-9-3-4-10(12(7-9)20-2)11-8-13(18)16-14(21)17(11)6-5-15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18,21)
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174n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of peroxidase activity of MPO isolated from human polynuclear leukocytes using Amplex Red as substrate assessed as formation of resorufin ...


J Med Chem 58: 8513-28 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00963
BindingDB Entry DOI: 10.7270/Q2SQ926X
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327358
PNG
(CHEMBL4168403)
Show SMILES Cc1[nH]c2c(N3CCC(N)(CC3)C(N)=O)c(C#N)c(nc2c1Cl)C(F)(F)F
Show InChI InChI=1S/C16H16ClF3N6O/c1-7-9(17)10-11(24-7)12(8(6-21)13(25-10)16(18,19)20)26-4-2-15(23,3-5-26)14(22)27/h24H,2-5,23H2,1H3,(H2,22,27)
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250n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50133595
PNG
(CHEMBL3633460)
Show SMILES COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O
Show InChI InChI=1S/C13H12ClN3O3S/c1-20-10-3-2-7(14)4-8(10)9-5-12(19)16-13(21)17(9)6-11(15)18/h2-5H,6H2,1H3,(H2,15,18)(H,16,19,21)
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316n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of peroxidase activity of MPO isolated from human polynuclear leukocytes using Amplex Red as substrate assessed as formation of resorufin ...


J Med Chem 58: 8513-28 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00963
BindingDB Entry DOI: 10.7270/Q2SQ926X
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50133596
PNG
(CHEMBL3633459)
Show SMILES COc1ccc(OC)c(c1)-c1cc(=O)[nH]c(=S)n1CC(N)=O
Show InChI InChI=1S/C14H15N3O4S/c1-20-8-3-4-11(21-2)9(5-8)10-6-13(19)16-14(22)17(10)7-12(15)18/h3-6H,7H2,1-2H3,(H2,15,18)(H,16,19,22)
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347n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of peroxidase activity of MPO isolated from human polynuclear leukocytes using Amplex Red as substrate assessed as formation of resorufin ...


J Med Chem 58: 8513-28 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00963
BindingDB Entry DOI: 10.7270/Q2SQ926X
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50133603
PNG
(CHEMBL3633248)
Show SMILES COc1ccc(c(OC)c1)-c1cc(=O)[nH]c(=S)n1CC(N)=O
Show InChI InChI=1S/C14H15N3O4S/c1-20-8-3-4-9(11(5-8)21-2)10-6-13(19)16-14(22)17(10)7-12(15)18/h3-6H,7H2,1-2H3,(H2,15,18)(H,16,19,22)
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372n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of peroxidase activity of MPO isolated from human polynuclear leukocytes using Amplex Red as substrate assessed as formation of resorufin ...


J Med Chem 58: 8513-28 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00963
BindingDB Entry DOI: 10.7270/Q2SQ926X
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327363
PNG
(CHEMBL4176684)
Show SMILES Cc1[nH]c2c(N3CCC(O)CC3)c(C#N)c(nc2c1Cl)C(F)(F)F
Show InChI InChI=1S/C25H27N3O/c1-20-9-7-10-21(19-20)13-14-24-25(27-23-12-4-3-11-22(23)26-24)29-18-8-17-28-15-5-2-6-16-28/h3-4,7,9-12,19H,2,5-6,8,15-18H2,1H3
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440n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50133600
PNG
(CHEMBL3633457)
Show SMILES COc1ccc(c(OC)c1)-c1cc(=O)[nH]c(=S)n1CCOC(C)C
Show InChI InChI=1S/C17H22N2O4S/c1-11(2)23-8-7-19-14(10-16(20)18-17(19)24)13-6-5-12(21-3)9-15(13)22-4/h5-6,9-11H,7-8H2,1-4H3,(H,18,20,24)
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501n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of peroxidase activity of MPO isolated from human polynuclear leukocytes using Amplex Red as substrate assessed as formation of resorufin ...


J Med Chem 58: 8513-28 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00963
BindingDB Entry DOI: 10.7270/Q2SQ926X
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327360
PNG
(CHEMBL4168827)
Show SMILES CN1CCC2(CCN(CC2)c2c(C#N)c(nc3c(Cl)c(C)[nH]c23)C(F)(F)F)C1=O
Show InChI InChI=1S/C27H36N6O2/c1-27(2,3)19-8-10-20(11-9-19)29-26(34)30-21-12-13-22-23(18-21)31-24(25(32-22)35-4)28-14-17-33-15-6-5-7-16-33/h8-13,18H,5-7,14-17H2,1-4H3,(H,28,31)(H2,29,30,34)
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530n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327362
PNG
(CHEMBL4159390)
Show SMILES OCC(O)CSCc1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(=O)N\N=C\c1cccc(F)c1
Show InChI InChI=1S/C23H23N3O/c1-18-8-10-19(11-9-18)12-13-22-23(27-17-16-26-14-4-5-15-26)25-21-7-3-2-6-20(21)24-22/h2-3,6-11H,4-5,14-17H2,1H3
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690n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50341383
PNG
(CHEMBL4175607)
Show SMILES Cc1[nH]c2c(N3CCO[C@H](CO)C3)c(C#N)c(nc2c1Cl)C(F)(F)F
Show InChI InChI=1S/C15H14ClF3N4O2/c1-7-10(16)11-12(21-7)13(23-2-3-25-8(5-23)6-24)9(4-20)14(22-11)15(17,18)19/h8,21,24H,2-3,5-6H2,1H3/t8-/m0/s1
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750n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327357
PNG
(CHEMBL4164986)
Show SMILES Cc1[nH]c2c(N3CCO[C@@H](CO)C3)c(C#N)c(nc2c1Cl)C(F)(F)F
Show InChI InChI=1S/C15H14ClF3N4O2/c1-7-10(16)11-12(21-7)13(23-2-3-25-8(5-23)6-24)9(4-20)14(22-11)15(17,18)19/h8,21,24H,2-3,5-6H2,1H3/t8-/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327355
PNG
(CHEMBL4164691)
Show SMILES Cc1cc2nc(c(C#N)c(N3CCC4(CCNC4=O)CC3)c2[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H18F3N5O/c1-10-8-12-13(24-10)14(11(9-22)15(25-12)18(19,20)21)26-6-3-17(4-7-26)2-5-23-16(17)27/h8,24H,2-7H2,1H3,(H,23,27)
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2.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327359
PNG
(CHEMBL4160507)
Show SMILES Cc1[nH]c2c(N3CCC(N)CC3)c(C#N)c(nc2c1Cl)C(F)(F)F
Show InChI InChI=1S/C15H15ClF3N5/c1-7-10(16)11-12(22-7)13(24-4-2-8(21)3-5-24)9(6-20)14(23-11)15(17,18)19/h8,22H,2-5,21H2,1H3
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2.30E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327361
PNG
(CHEMBL4172179)
Show SMILES FC(F)(F)c1nc2cc[nH]c2c(N2CCC3(CCNC3=O)CC2)c1C#N
Show InChI InChI=1S/C20H19N3O/c1-23(2)14-15-24-20-19(13-12-16-8-4-3-5-9-16)21-17-10-6-7-11-18(17)22-20/h3-11H,14-15H2,1-2H3
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1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327356
PNG
(CHEMBL4172584)
Show SMILES Cc1cc2nc(c(C#N)c(N3CCC(CC3)Nc3ccccn3)c2[nH]1)C(F)(F)F
Show InChI InChI=1S/C20H19F3N6/c1-12-10-15-17(26-12)18(14(11-24)19(28-15)20(21,22)23)29-8-5-13(6-9-29)27-16-4-2-3-7-25-16/h2-4,7,10,13,26H,5-6,8-9H2,1H3,(H,25,27)
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1.40E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50341384
PNG
(CHEMBL4170023)
Show SMILES COc1ccc(NS(=O)(=O)c2cccc(c2)C(F)(F)F)c(c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H16ClF3N2O4S/c1-31-16-9-10-19(18(12-16)20(28)26-15-7-5-14(22)6-8-15)27-32(29,30)17-4-2-3-13(11-17)21(23,24)25/h2-12,27H,1H3,(H,26,28)
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>2.50E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16315
PNG
(6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...)
Show SMILES Cc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C13H9ClN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)
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n/an/a 0.840n/an/an/an/a7.024



Pfizer Inc



Assay Description
The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...


J Med Chem 46: 2283-6 (2003)


Article DOI: 10.1021/jm034065z
BindingDB Entry DOI: 10.7270/Q2NV9GGM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16315
PNG
(6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...)
Show SMILES Cc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C13H9ClN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc



Assay Description
The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50277775
PNG
((3R,4R)-3-(4-(3,5-dimethylphenoxy)phenyl)-1-oxo-2-...)
Show SMILES CCCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(Oc2cc(C)cc(C)c2)cc1
Show InChI InChI=1S/C27H27NO4/c1-4-13-28-25(24(27(30)31)22-7-5-6-8-23(22)26(28)29)19-9-11-20(12-10-19)32-21-15-17(2)14-18(3)16-21/h5-12,14-16,24-25H,4,13H2,1-3H3,(H,30,31)/t24-,25+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR40 expressed HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 19: 2400-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.082
BindingDB Entry DOI: 10.7270/Q23N238P
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16633
PNG
(6-[(5-fluoro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...)
Show SMILES Cc1c(oc2ccc(F)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C13H9FN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc



Assay Description
The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50277776
PNG
((3R,4R)-3-(4-(3,4-dimethylphenoxy)phenyl)-1-oxo-2-...)
Show SMILES CCCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(Oc2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C27H27NO4/c1-4-15-28-25(24(27(30)31)22-7-5-6-8-23(22)26(28)29)19-10-13-20(14-11-19)32-21-12-9-17(2)18(3)16-21/h5-14,16,24-25H,4,15H2,1-3H3,(H,30,31)/t24-,25+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR40 expressed HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 19: 2400-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.082
BindingDB Entry DOI: 10.7270/Q23N238P
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50277814
PNG
((3R,4R)-2-(cyclopropylmethyl)-1-oxo-3-(4-phenoxyph...)
Show SMILES OC(=O)[C@H]1[C@@H](N(CC2CC2)C(=O)c2ccccc12)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H23NO4/c28-25-22-9-5-4-8-21(22)23(26(29)30)24(27(25)16-17-10-11-17)18-12-14-20(15-13-18)31-19-6-2-1-3-7-19/h1-9,12-15,17,23-24H,10-11,16H2,(H,29,30)/t23-,24+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR40 expressed HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 19: 2400-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.082
BindingDB Entry DOI: 10.7270/Q23N238P
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16452
PNG
((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)
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n/an/a 4n/an/an/an/a7.024



Pfizer Inc



Assay Description
The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...


J Med Chem 46: 2283-6 (2003)


Article DOI: 10.1021/jm034065z
BindingDB Entry DOI: 10.7270/Q2NV9GGM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sorbitol dehydrogenase


(Homo sapiens (Human))
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 Inc

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)


Article DOI: 10.1021/jm020288y
BindingDB Entry DOI: 10.7270/Q2V69HZM
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))
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 Inc

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)


Article DOI: 10.1021/jm020288y
BindingDB Entry DOI: 10.7270/Q2V69HZM
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Rattus norvegicus)
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 5n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


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


J Med Chem 45: 4398-401 (2002)


Article DOI: 10.1021/jm020288y
BindingDB Entry DOI: 10.7270/Q2V69HZM
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16634
PNG
(6-{[3-methyl-5-(trifluoromethyl)-1-benzofuran-2-]s...)
Show SMILES Cc1c(oc2ccc(cc12)C(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C14H9F3N2O4S/c1-7-9-6-8(14(15,16)17)2-3-10(9)23-13(7)24(21,22)12-5-4-11(20)18-19-12/h2-6H,1H3,(H,18,20)
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n/an/a 5n/an/an/an/an/an/a



Pfizer Inc



Assay Description
The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16636
PNG
(6-[(5-chloro-3-ethyl-1-benzofuran-2-)sulfonyl]-2,3...)
Show SMILES CCc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C14H11ClN2O4S/c1-2-9-10-7-8(15)3-4-11(10)21-14(9)22(19,20)13-6-5-12(18)16-17-13/h3-7H,2H2,1H3,(H,16,18)
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc



Assay Description
The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Rattus norvegicus)
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 6n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


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


J Med Chem 45: 4398-401 (2002)


Article DOI: 10.1021/jm020288y
BindingDB Entry DOI: 10.7270/Q2V69HZM
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))
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 Inc

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)


Article DOI: 10.1021/jm020288y
BindingDB Entry DOI: 10.7270/Q2V69HZM
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Rattus norvegicus)
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 7n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


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


J Med Chem 45: 4398-401 (2002)


Article DOI: 10.1021/jm020288y
BindingDB Entry DOI: 10.7270/Q2V69HZM
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))
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 Inc

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)


Article DOI: 10.1021/jm020288y
BindingDB Entry DOI: 10.7270/Q2V69HZM
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Rattus norvegicus)
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 9n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


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


J Med Chem 45: 4398-401 (2002)


Article DOI: 10.1021/jm020288y
BindingDB Entry DOI: 10.7270/Q2V69HZM
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Rattus norvegicus)
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 9n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


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


J Med Chem 45: 4398-401 (2002)


Article DOI: 10.1021/jm020288y
BindingDB Entry DOI: 10.7270/Q2V69HZM
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Rattus norvegicus)
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 10n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


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


J Med Chem 45: 4398-401 (2002)


Article DOI: 10.1021/jm020288y
BindingDB Entry DOI: 10.7270/Q2V69HZM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50277887
PNG
((3R,4R)-3-(benzo[d]thiazol-2-yl)-2-(2-ethylbutyl)-...)
Show SMILES CCC(CC)CN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1nc2ccccc2s1
Show InChI InChI=1S/C23H24N2O3S/c1-3-14(4-2)13-25-20(21-24-17-11-7-8-12-18(17)29-21)19(23(27)28)15-9-5-6-10-16(15)22(25)26/h5-12,14,19-20H,3-4,13H2,1-2H3,(H,27,28)/t19-,20-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR40 expressed HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 19: 2400-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.082
BindingDB Entry DOI: 10.7270/Q23N238P
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50277728
PNG
((3R,4R)-3-(4-((cis)-4-methylcyclohexyloxy)phenyl)-...)
Show SMILES CCCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(O[C@@H]2CC[C@H](C)CC2)cc1
Show InChI InChI=1S/C26H31NO4/c1-3-16-27-24(23(26(29)30)21-6-4-5-7-22(21)25(27)28)18-10-14-20(15-11-18)31-19-12-8-17(2)9-13-19/h4-7,10-11,14-15,17,19,23-24H,3,8-9,12-13,16H2,1-2H3,(H,29,30)/t17-,19+,23-,24+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR40 expressed HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 19: 2400-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.082
BindingDB Entry DOI: 10.7270/Q23N238P
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))
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 Inc

Curated by ChEMBL


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


J Med Chem 45: 4398-401 (2002)


Article DOI: 10.1021/jm020288y
BindingDB Entry DOI: 10.7270/Q2V69HZM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50277853
PNG
((3R,4R)-3-(3,4-dichlorophenyl)-2-(2-ethylbutyl)-1-...)
Show SMILES CCC(CC)CN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H23Cl2NO3/c1-3-13(4-2)12-25-20(14-9-10-17(23)18(24)11-14)19(22(27)28)15-7-5-6-8-16(15)21(25)26/h5-11,13,19-20H,3-4,12H2,1-2H3,(H,27,28)/t19-,20+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR40 expressed HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 19: 2400-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.082
BindingDB Entry DOI: 10.7270/Q23N238P
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Rattus norvegicus)
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 11n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


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


J Med Chem 45: 4398-401 (2002)


Article DOI: 10.1021/jm020288y
BindingDB Entry DOI: 10.7270/Q2V69HZM
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Rattus norvegicus)
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 11n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


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


J Med Chem 45: 4398-401 (2002)


Article DOI: 10.1021/jm020288y
BindingDB Entry DOI: 10.7270/Q2V69HZM
More data for this
Ligand-Target Pair
Ketohexokinase (KHK) Isoform C


(Homo sapiens (Human))
BDBM50380246
PNG
(CHEMBL2017214)
Show SMILES CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCNCC1
Show InChI InChI=1S/C21H26N8S/c1-30-16-5-3-2-4-15(16)26-20-17-18(19(25-13-24-17)23-12-14-6-7-14)27-21(28-20)29-10-8-22-9-11-29/h2-5,13-14,22H,6-12H2,1H3,(H,23,24,25)(H,26,27,28)
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n/an/a 12n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of KHK (unknown origin) using D-fructose as substrate after 60 mins in presence of ATP by LC-MS analysis


J Med Chem 60: 7835-7849 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00947
BindingDB Entry DOI: 10.7270/Q2H997CM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50277729
PNG
((3R,4R)-2-ethyl-1-oxo-3-(4-phenoxyphenyl)-1,2,3,4-...)
Show SMILES CCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H21NO4/c1-2-25-22(21(24(27)28)19-10-6-7-11-20(19)23(25)26)16-12-14-18(15-13-16)29-17-8-4-3-5-9-17/h3-15,21-22H,2H2,1H3,(H,27,28)/t21-,22+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR40 expressed HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 19: 2400-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.082
BindingDB Entry DOI: 10.7270/Q23N238P
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16635
PNG
(6-[(3,5-dimethyl-1-benzofuran-2-)sulfonyl]-2,3-dih...)
Show SMILES Cc1c(oc2ccc(C)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C14H12N2O4S/c1-8-3-4-11-10(7-8)9(2)14(20-11)21(18,19)13-6-5-12(17)15-16-13/h3-7H,1-2H3,(H,15,17)
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc



Assay Description
The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50277852
PNG
((3R,4R)-3-(3,4-dichlorophenyl)-2-((S)-2-methylbuty...)
Show SMILES CC[C@H](C)CN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H21Cl2NO3/c1-3-12(2)11-24-19(13-8-9-16(22)17(23)10-13)18(21(26)27)14-6-4-5-7-15(14)20(24)25/h4-10,12,18-19H,3,11H2,1-2H3,(H,26,27)/t12-,18+,19-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR40 expressed HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 19: 2400-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.082
BindingDB Entry DOI: 10.7270/Q23N238P
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))
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 Inc

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)


Article DOI: 10.1021/jm020288y
BindingDB Entry DOI: 10.7270/Q2V69HZM
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))
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 Inc

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)


Article DOI: 10.1021/jm020288y
BindingDB Entry DOI: 10.7270/Q2V69HZM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50277888
PNG
((3R,4R)-3-(benzofuran-2-yl)-2-((S)-2-methylbutyl)-...)
Show SMILES CC[C@H](C)CN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1cc2ccccc2o1
Show InChI InChI=1S/C23H23NO4/c1-3-14(2)13-24-21(19-12-15-8-4-7-11-18(15)28-19)20(23(26)27)16-9-5-6-10-17(16)22(24)25/h4-12,14,20-21H,3,13H2,1-2H3,(H,26,27)/t14-,20+,21-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR40 expressed HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 19: 2400-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.082
BindingDB Entry DOI: 10.7270/Q23N238P
More data for this
Ligand-Target Pair
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