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Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'karasu' and Initial = 'c'   
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
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50478795
PNG
(CHEMBL476908)
Show SMILES [O-]C(=O)Cc1ccc2[nH]c3CCN(CCc4ccccc4)Cc3c2c1
Show InChI InChI=1S/C21H22N2O2/c24-21(25)13-16-6-7-19-17(12-16)18-14-23(11-9-20(18)22-19)10-8-15-4-2-1-3-5-15/h1-7,12,22H,8-11,13-14H2,(H,24,25)/p-1
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1.05E+4n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2 using NADPH as substrate


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50478794
PNG
(CHEMBL477942)
Show SMILES [O-]C(=O)Cc1ccc2[nH]c3CCN(Cc4ccccc4)Cc3c2c1
Show InChI InChI=1S/C20H20N2O2/c23-20(24)11-15-6-7-18-16(10-15)17-13-22(9-8-19(17)21-18)12-14-4-2-1-3-5-14/h1-7,10,21H,8-9,11-13H2,(H,23,24)/p-1
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1.10E+4n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2 using NADPH as substrate


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50478795
PNG
(CHEMBL476908)
Show SMILES [O-]C(=O)Cc1ccc2[nH]c3CCN(CCc4ccccc4)Cc3c2c1
Show InChI InChI=1S/C21H22N2O2/c24-21(25)13-16-6-7-19-17(12-16)18-14-23(11-9-20(18)22-19)10-8-15-4-2-1-3-5-15/h1-7,12,22H,8-11,13-14H2,(H,24,25)/p-1
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1.77E+4n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2 using D,L-glyceraldehyde as substrate


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50478794
PNG
(CHEMBL477942)
Show SMILES [O-]C(=O)Cc1ccc2[nH]c3CCN(Cc4ccccc4)Cc3c2c1
Show InChI InChI=1S/C20H20N2O2/c23-20(24)11-15-6-7-18-16(10-15)17-13-22(9-8-19(17)21-18)12-14-4-2-1-3-5-14/h1-7,10,21H,8-9,11-13H2,(H,23,24)/p-1
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1.79E+4n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2 using D,L-glyceraldehyde as substrate


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


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



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27502
PNG
(3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoq...)
Show SMILES O=C1NCCc2c(OCCCCN3CCCCC3)cccc12
Show InChI InChI=1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21)
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n/an/a 53n/an/an/an/an/an/a



Pondicherry University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) in presence of NAD+ by homogenous fluorescence plate assay


Bioorg Med Chem 23: 488-98 (2015)


Article DOI: 10.1016/j.bmc.2014.12.017
BindingDB Entry DOI: 10.7270/Q2BV7J9N
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50060678
PNG
(CHEMBL3394709)
Show SMILES OC12N(CCc3cc(Br)ccc13)C(=O)c1ccccc21
Show InChI InChI=1S/C16H12BrNO2/c17-11-5-6-13-10(9-11)7-8-18-15(19)12-3-1-2-4-14(12)16(13,18)20/h1-6,9,20H,7-8H2
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n/an/a 139n/an/an/an/an/an/a



Pondicherry University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) in presence of NAD+ by homogenous fluorescence plate assay


Bioorg Med Chem 23: 488-98 (2015)


Article DOI: 10.1016/j.bmc.2014.12.017
BindingDB Entry DOI: 10.7270/Q2BV7J9N
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50060697
PNG
(CHEMBL3394707)
Show SMILES COc1cc2CCN3C(=O)c4ccccc4C3(O)c2cc1O
Show InChI InChI=1S/C17H15NO4/c1-22-15-8-10-6-7-18-16(20)11-4-2-3-5-12(11)17(18,21)13(10)9-14(15)19/h2-5,8-9,19,21H,6-7H2,1H3
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n/an/a 216n/an/an/an/an/an/a



Pondicherry University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) in presence of NAD+ by homogenous fluorescence plate assay


Bioorg Med Chem 23: 488-98 (2015)


Article DOI: 10.1016/j.bmc.2014.12.017
BindingDB Entry DOI: 10.7270/Q2BV7J9N
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50060696
PNG
(CHEMBL3394712)
Show SMILES COc1ccc2C3CCCC(=O)N3CCc2c1OC
Show InChI InChI=1S/C15H19NO3/c1-18-13-7-6-10-11(15(13)19-2)8-9-16-12(10)4-3-5-14(16)17/h6-7,12H,3-5,8-9H2,1-2H3
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n/an/a 565n/an/an/an/an/an/a



Pondicherry University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) in presence of NAD+ by homogenous fluorescence plate assay


Bioorg Med Chem 23: 488-98 (2015)


Article DOI: 10.1016/j.bmc.2014.12.017
BindingDB Entry DOI: 10.7270/Q2BV7J9N
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50060762
PNG
(CHEMBL3394705)
Show SMILES COc1cc2CCN3C(=O)c4ccccc4C3(O)c2cc1OC
Show InChI InChI=1S/C18H17NO4/c1-22-15-9-11-7-8-19-17(20)12-5-3-4-6-13(12)18(19,21)14(11)10-16(15)23-2/h3-6,9-10,21H,7-8H2,1-2H3
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n/an/a 865n/an/an/an/an/an/a



Pondicherry University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) in presence of NAD+ by homogenous fluorescence plate assay


Bioorg Med Chem 23: 488-98 (2015)


Article DOI: 10.1016/j.bmc.2014.12.017
BindingDB Entry DOI: 10.7270/Q2BV7J9N
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50060677
PNG
(CHEMBL3394710)
Show SMILES Cc1ccc2c(CCN3C(=O)c4ccccc4C23O)c1
Show InChI InChI=1S/C17H15NO2/c1-11-6-7-14-12(10-11)8-9-18-16(19)13-4-2-3-5-15(13)17(14,18)20/h2-7,10,20H,8-9H2,1H3
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n/an/a 977n/an/an/an/an/an/a



Pondicherry University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) in presence of NAD+ by homogenous fluorescence plate assay


Bioorg Med Chem 23: 488-98 (2015)


Article DOI: 10.1016/j.bmc.2014.12.017
BindingDB Entry DOI: 10.7270/Q2BV7J9N
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50060701
PNG
(CHEMBL3394706)
Show SMILES COc1ccc2c(CCN3C(=O)c4ccccc4C23O)c1OC
Show InChI InChI=1S/C18H17NO4/c1-22-15-8-7-14-11(16(15)23-2)9-10-19-17(20)12-5-3-4-6-13(12)18(14,19)21/h3-8,21H,9-10H2,1-2H3
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n/an/a 983n/an/an/an/an/an/a



Pondicherry University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) in presence of NAD+ by homogenous fluorescence plate assay


Bioorg Med Chem 23: 488-98 (2015)


Article DOI: 10.1016/j.bmc.2014.12.017
BindingDB Entry DOI: 10.7270/Q2BV7J9N
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50060698
PNG
(CHEMBL3394708)
Show SMILES COc1ccc2c(CCN3C(=O)c4ccccc4C23O)c1
Show InChI InChI=1S/C17H15NO3/c1-21-12-6-7-14-11(10-12)8-9-18-16(19)13-4-2-3-5-15(13)17(14,18)20/h2-7,10,20H,8-9H2,1H3
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n/an/a 1.08E+3n/an/an/an/an/an/a



Pondicherry University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) in presence of NAD+ by homogenous fluorescence plate assay


Bioorg Med Chem 23: 488-98 (2015)


Article DOI: 10.1016/j.bmc.2014.12.017
BindingDB Entry DOI: 10.7270/Q2BV7J9N
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50060676
PNG
(CHEMBL3394704)
Show SMILES COc1ccc(OC)c2c1CCN1C(=O)c3ccccc3C21O
Show InChI InChI=1S/C18H17NO4/c1-22-14-7-8-15(23-2)16-12(14)9-10-19-17(20)11-5-3-4-6-13(11)18(16,19)21/h3-8,21H,9-10H2,1-2H3
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n/an/a 1.28E+3n/an/an/an/an/an/a



Pondicherry University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) in presence of NAD+ by homogenous fluorescence plate assay


Bioorg Med Chem 23: 488-98 (2015)


Article DOI: 10.1016/j.bmc.2014.12.017
BindingDB Entry DOI: 10.7270/Q2BV7J9N
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50060702
PNG
(CHEMBL3394711)
Show SMILES COc1cc2CCN3C(CCC3=O)c2c(OC)c1
Show InChI InChI=1S/C14H17NO3/c1-17-10-7-9-5-6-15-11(3-4-13(15)16)14(9)12(8-10)18-2/h7-8,11H,3-6H2,1-2H3
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n/an/a 1.37E+3n/an/an/an/an/an/a



Pondicherry University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) in presence of NAD+ by homogenous fluorescence plate assay


Bioorg Med Chem 23: 488-98 (2015)


Article DOI: 10.1016/j.bmc.2014.12.017
BindingDB Entry DOI: 10.7270/Q2BV7J9N
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50060743
PNG
(CHEMBL3394703)
Show SMILES COc1cc2CCN3C(=O)C4C(C5c6ccccc6C4c4ccccc54)C3(O)c2cc1OC |TLB:26:11:18.13:25.20,17:18:25.20:11.10,24:25:18.13:11.10,THB:8:10:18.13:25.20,14:13:25.20:11.10,21:20:18.13:11.10,(-9.33,-2.12,;-8.6,-1.13,;-7.07,-1.29,;-6.45,-2.7,;-4.91,-2.87,;-4.29,-4.28,;-2.76,-4.44,;-1.85,-3.21,;-.32,-3.05,;.5,-3.96,;,-1.54,;-1.33,-.77,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;2.67,1.54,;2.67,3.08,;1.33,3.85,;,3.08,;,1.54,;-2.48,-1.8,;-2.85,-.63,;-4.01,-1.62,;-4.63,-.21,;-6.16,-.05,;-6.78,1.36,;-6.05,2.36,)|
Show InChI InChI=1S/C28H25NO4/c1-32-21-13-15-11-12-29-27(30)25-23-16-7-3-5-9-18(16)24(19-10-6-4-8-17(19)23)26(25)28(29,31)20(15)14-22(21)33-2/h3-10,13-14,23-26,31H,11-12H2,1-2H3
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n/an/a 1.64E+3n/an/an/an/an/an/a



Pondicherry University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) in presence of NAD+ by homogenous fluorescence plate assay


Bioorg Med Chem 23: 488-98 (2015)


Article DOI: 10.1016/j.bmc.2014.12.017
BindingDB Entry DOI: 10.7270/Q2BV7J9N
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50478795
PNG
(CHEMBL476908)
Show SMILES [O-]C(=O)Cc1ccc2[nH]c3CCN(CCc4ccccc4)Cc3c2c1
Show InChI InChI=1S/C21H22N2O2/c24-21(25)13-16-6-7-19-17(12-16)18-14-23(11-9-20(18)22-19)10-8-15-4-2-1-3-5-15/h1-7,12,22H,8-11,13-14H2,(H,24,25)/p-1
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n/an/a 1.67E+4n/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50478794
PNG
(CHEMBL477942)
Show SMILES [O-]C(=O)Cc1ccc2[nH]c3CCN(Cc4ccccc4)Cc3c2c1
Show InChI InChI=1S/C20H20N2O2/c23-20(24)11-15-6-7-18-16(10-15)17-13-22(9-8-19(17)21-18)12-14-4-2-1-3-5-14/h1-7,10,21H,8-9,11-13H2,(H,23,24)/p-1
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n/an/a 1.82E+4n/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50478791
PNG
(CHEMBL477933)
Show SMILES CN1CCc2[nH]c3ccc(CC([O-])=O)cc3c2C1
Show InChI InChI=1S/C14H16N2O2/c1-16-5-4-13-11(8-16)10-6-9(7-14(17)18)2-3-12(10)15-13/h2-3,6,15H,4-5,7-8H2,1H3,(H,17,18)/p-1
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n/an/a 5.40E+4n/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50478793
PNG
(CHEMBL479175)
Show SMILES [Na;v0+].[H][C@]12[#6]-[#6]-[#7](-[#6]-c3ccccc3)-[#6][C@@]1([H])c1cc(-[#6]-[#6](-[#8-])=O)ccc1-[#7]2 |r|
Show InChI InChI=1S/C20H22N2O2.Na/c23-20(24)11-15-6-7-18-16(10-15)17-13-22(9-8-19(17)21-18)12-14-4-2-1-3-5-14;/h1-7,10,17,19,21H,8-9,11-13H2,(H,23,24);/q;+1/p-1/t17-,19-;/m0./s1
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n/an/a 2.66E+5n/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50478796
PNG
(CHEMBL479174)
Show SMILES [K;v0+].[H][C@]12[#6]-[#6]-[#7](-[#6])-[#6][C@@]1([H])c1cc(-[#6]-[#6](-[#8-])=O)ccc1-[#7]2 |r|
Show InChI InChI=1S/C14H18N2O2.K/c1-16-5-4-13-11(8-16)10-6-9(7-14(17)18)2-3-12(10)15-13;/h2-3,6,11,13,15H,4-5,7-8H2,1H3,(H,17,18);/q;+1/p-1/t11-,13-;/m0./s1
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n/an/a 3.81E+5n/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50478797
PNG
(DEHYDROSTOBADINE)
Show SMILES CN1CCc2[nH]c3ccc(C)cc3c2C1
Show InChI InChI=1S/C13H16N2/c1-9-3-4-12-10(7-9)11-8-15(2)6-5-13(11)14-12/h3-4,7,14H,5-6,8H2,1-2H3
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UniChem
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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50478792
PNG
(stobadine)
Show SMILES [H][C@@]12CCN(C)C[C@]1([H])c1cc(C)ccc1N2 |r|
Show InChI InChI=1S/C13H18N2/c1-9-3-4-12-10(7-9)11-8-15(2)6-5-13(11)14-12/h3-4,7,11,13-14H,5-6,8H2,1-2H3/t11-,13-/m1/s1
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UniChem
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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair