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Compile Data Set for Download or QSAR

Found 111 hits with Last Name = 'mizrahi' and Initial = 'v'   
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
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50446676
PNG
(CHEMBL1230349)
Show SMILES CC(C)(C)[C@@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C16H24N6O8S/c1-16(2,3)11(25)14(26)21-31(27,28)29-4-7-9(23)10(24)15(30-7)22-6-20-8-12(17)18-5-19-13(8)22/h5-7,9-11,15,23-25H,4H2,1-3H3,(H,21,26)(H2,17,18,19)/t7-,9-,10-,11+,15-/m1/s1
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270n/an/an/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis recombinant PanC expressed in Escherichia coli BL21 (DE3) using pantoic acid and ATP as substrat...


Bioorg Med Chem 22: 1726-35 (2014)


Article DOI: 10.1016/j.bmc.2014.01.017
BindingDB Entry DOI: 10.7270/Q2Q81FJT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50446673
PNG
(CHEMBL3113591)
Show SMILES CC(C)(C)[C@@H](O)C(=O)NS(=O)(=O)OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C17H26N6O7S/c1-17(2,3)13(26)16(27)22-31(28,29)30-5-8-4-9(12(25)11(8)24)23-7-21-10-14(18)19-6-20-15(10)23/h6-9,11-13,24-26H,4-5H2,1-3H3,(H,22,27)(H2,18,19,20)/t8-,9-,11-,12+,13+/m1/s1
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870n/an/an/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis recombinant PanC expressed in Escherichia coli BL21 (DE3) using pantoic acid and ATP as substrat...


Bioorg Med Chem 22: 1726-35 (2014)


Article DOI: 10.1016/j.bmc.2014.01.017
BindingDB Entry DOI: 10.7270/Q2Q81FJT
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50446674
PNG
(CHEMBL3113590)
Show SMILES CC(C)(C)[C@@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](F)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C16H23FN6O7S/c1-16(2,3)11(25)14(26)22-31(27,28)29-4-7-10(24)8(17)15(30-7)23-6-21-9-12(18)19-5-20-13(9)23/h5-8,10-11,15,24-25H,4H2,1-3H3,(H,22,26)(H2,18,19,20)/t7-,8-,10-,11+,15-/m1/s1
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990n/an/an/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis recombinant PanC expressed in Escherichia coli BL21 (DE3) using pantoic acid and ATP as substrat...


Bioorg Med Chem 22: 1726-35 (2014)


Article DOI: 10.1016/j.bmc.2014.01.017
BindingDB Entry DOI: 10.7270/Q2Q81FJT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50456068
PNG
(CHEMBL4208344)
Show SMILES C[C@H](Nc1cccc(F)c1F)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C23H16F2N4O2/c1-13(27-18-4-2-3-17(24)21(18)25)22(30)28-16-9-10-20-19(11-16)29-23(31-20)15-7-5-14(12-26)6-8-15/h2-11,13,27H,1H3,(H,28,30)/t13-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis IMPDH2 Y487C mutant using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50446675
PNG
(CHEMBL3113589)
Show SMILES CC(C)(C)[C@@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C16H24N6O8S/c1-16(2,3)11(25)14(26)21-31(27,28)29-4-7-9(23)10(24)15(30-7)22-6-20-8-12(17)18-5-19-13(8)22/h5-7,9-11,15,23-25H,4H2,1-3H3,(H,21,26)(H2,17,18,19)/t7-,9-,10+,11+,15-/m1/s1
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1.73E+3n/an/an/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis recombinant PanC expressed in Escherichia coli BL21 (DE3) using pantoic acid and ATP as substrat...


Bioorg Med Chem 22: 1726-35 (2014)


Article DOI: 10.1016/j.bmc.2014.01.017
BindingDB Entry DOI: 10.7270/Q2Q81FJT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50456074
PNG
(CHEMBL4202438)
Show SMILES C[C@H](Oc1cccc(F)c1F)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C23H15F2N3O3/c1-13(30-20-4-2-3-17(24)21(20)25)22(29)27-16-9-10-19-18(11-16)28-23(31-19)15-7-5-14(12-26)6-8-15/h2-11,13H,1H3,(H,27,29)/t13-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50456086
PNG
(CHEMBL4204706)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C23H15Cl2N3O3/c1-13(30-20-4-2-3-17(24)21(20)25)22(29)27-16-9-10-19-18(11-16)28-23(31-19)15-7-5-14(12-26)6-8-15/h2-11,13H,1H3,(H,27,29)/t13-/m0/s1
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2.30E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50456092
PNG
(CHEMBL4218122)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)-c1n[nH]c(=O)o1 |r|
Show InChI InChI=1S/C24H16Cl2N4O5/c1-12(33-19-4-2-3-16(25)20(19)26)21(31)27-15-9-10-18-17(11-15)28-22(34-18)13-5-7-14(8-6-13)23-29-30-24(32)35-23/h2-12H,1H3,(H,27,31)(H,30,32)/t12-/m0/s1
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2.90E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50456097
PNG
(CHEMBL4217858)
Show SMILES C[C@H](Nc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C23H16Cl2N4O2/c1-13(27-18-4-2-3-17(24)21(18)25)22(30)28-16-9-10-20-19(11-16)29-23(31-20)15-7-5-14(12-26)6-8-15/h2-11,13,27H,1H3,(H,28,30)/t13-/m0/s1
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3.30E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50446672
PNG
(CHEMBL3113592)
Show SMILES CC(C)(CO)[C@@H](O)CNS(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C16H27N7O7S/c1-16(2,5-24)9(25)4-22-31(28,29)21-3-8-11(26)12(27)15(30-8)23-7-20-10-13(17)18-6-19-14(10)23/h6-9,11-12,15,21-22,24-27H,3-5H2,1-2H3,(H2,17,18,19)/t8-,9+,11-,12-,15-/m1/s1
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3.47E+3n/an/an/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis recombinant PanC expressed in Escherichia coli BL21 (DE3) using pantoic acid and ATP as substrat...


Bioorg Med Chem 22: 1726-35 (2014)


Article DOI: 10.1016/j.bmc.2014.01.017
BindingDB Entry DOI: 10.7270/Q2Q81FJT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50456062
PNG
(CHEMBL4204618)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1cc[n+]([O-])cc1 |r|
Show InChI InChI=1S/C21H15Cl2N3O4/c1-12(29-18-4-2-3-15(22)19(18)23)20(27)24-14-5-6-17-16(11-14)25-21(30-17)13-7-9-26(28)10-8-13/h2-12H,1H3,(H,24,27)/t12-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50456063
PNG
(CHEMBL4215874)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(OCC(=O)OCC#C)cc1 |r|
Show InChI InChI=1S/C27H20Cl2N2O6/c1-3-13-34-24(32)15-35-19-10-7-17(8-11-19)27-31-21-14-18(9-12-22(21)37-27)30-26(33)16(2)36-23-6-4-5-20(28)25(23)29/h1,4-12,14,16H,13,15H2,2H3,(H,30,33)/t16-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50456064
PNG
(CHEMBL4210256)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C(N)=O |r|
Show InChI InChI=1S/C23H17Cl2N3O4/c1-12(31-19-4-2-3-16(24)20(19)25)22(30)27-15-9-10-18-17(11-15)28-23(32-18)14-7-5-13(6-8-14)21(26)29/h2-12H,1H3,(H2,26,29)(H,27,30)/t12-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
GMP reductase 2


(Homo sapiens)
BDBM50456065
PNG
(CHEMBL4204401)
Show SMILES COc1ccc(cn1)-c1nc2cc(NC(=O)[C@H](C)Oc3cccc(Cl)c3Cl)ccc2o1 |r|
Show InChI InChI=1S/C22H17Cl2N3O4/c1-12(30-18-5-3-4-15(23)20(18)24)21(28)26-14-7-8-17-16(10-14)27-22(31-17)13-6-9-19(29-2)25-11-13/h3-12H,1-2H3,(H,26,28)/t12-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
GMP reductase 2


(Homo sapiens)
BDBM50456066
PNG
(CHEMBL4209336)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1cccc(OCC(O)=O)c1 |r|
Show InChI InChI=1S/C24H18Cl2N2O6/c1-13(33-20-7-3-6-17(25)22(20)26)23(31)27-15-8-9-19-18(11-15)28-24(34-19)14-4-2-5-16(10-14)32-12-21(29)30/h2-11,13H,12H2,1H3,(H,27,31)(H,29,30)/t13-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
GMP reductase 2


(Homo sapiens)
BDBM50456067
PNG
(CHEMBL4203696)
Show SMILES C[C@H](Oc1cccc(F)c1F)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H15F3N2O3/c1-12(29-19-4-2-3-16(24)20(19)25)21(28)26-15-9-10-18-17(11-15)27-22(30-18)13-5-7-14(23)8-6-13/h2-12H,1H3,(H,26,28)/t12-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
GMP reductase 2


(Homo sapiens)
BDBM50456069
PNG
(CHEMBL4206398)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C(\N)=N/O |r|
Show InChI InChI=1S/C23H18Cl2N4O4/c1-12(32-19-4-2-3-16(24)20(19)25)22(30)27-15-9-10-18-17(11-15)28-23(33-18)14-7-5-13(6-8-14)21(26)29-31/h2-12,31H,1H3,(H2,26,29)(H,27,30)/t12-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
GMP reductase 2


(Homo sapiens)
BDBM50456070
PNG
(CHEMBL4205894)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)-c1noc(=O)[nH]1 |r|
Show InChI InChI=1S/C24H16Cl2N4O5/c1-12(33-19-4-2-3-16(25)20(19)26)22(31)27-15-9-10-18-17(11-15)28-23(34-18)14-7-5-13(6-8-14)21-29-24(32)35-30-21/h2-12H,1H3,(H,27,31)(H,29,30,32)/t12-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
GMP reductase 2


(Homo sapiens)
BDBM50456071
PNG
(CHEMBL4210769)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)-n1cnnn1 |r|
Show InChI InChI=1S/C23H16Cl2N6O3/c1-13(33-20-4-2-3-17(24)21(20)25)22(32)27-15-7-10-19-18(11-15)28-23(34-19)14-5-8-16(9-6-14)31-12-26-29-30-31/h2-13H,1H3,(H,27,32)/t13-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
GMP reductase 2


(Homo sapiens)
BDBM50456072
PNG
(CHEMBL4209120)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(CN)cc1 |r|
Show InChI InChI=1S/C23H19Cl2N3O3/c1-13(30-20-4-2-3-17(24)21(20)25)22(29)27-16-9-10-19-18(11-16)28-23(31-19)15-7-5-14(12-26)6-8-15/h2-11,13H,12,26H2,1H3,(H,27,29)/t13-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
GMP reductase 2


(Homo sapiens)
BDBM50456073
PNG
(CHEMBL4204321)
Show SMILES COc1ccc(cc1)-c1nc2cc(NC(=O)[C@H](C)Oc3cccc(F)c3F)ccc2o1 |r|
Show InChI InChI=1S/C23H18F2N2O4/c1-13(30-20-5-3-4-17(24)21(20)25)22(28)26-15-8-11-19-18(12-15)27-23(31-19)14-6-9-16(29-2)10-7-14/h3-13H,1-2H3,(H,26,28)/t13-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
GMP reductase 2


(Homo sapiens)
BDBM50456074
PNG
(CHEMBL4202438)
Show SMILES C[C@H](Oc1cccc(F)c1F)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C23H15F2N3O3/c1-13(30-20-4-2-3-17(24)21(20)25)22(29)27-16-9-10-19-18(11-16)28-23(31-19)15-7-5-14(12-26)6-8-15/h2-11,13H,1H3,(H,27,29)/t13-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
GMP reductase 2


(Homo sapiens)
BDBM50456075
PNG
(CHEMBL4216354)
Show SMILES C[C@H](Oc1ccc(F)c(F)c1F)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C23H14F3N3O3/c1-12(31-19-9-7-16(24)20(25)21(19)26)22(30)28-15-6-8-18-17(10-15)29-23(32-18)14-4-2-13(11-27)3-5-14/h2-10,12H,1H3,(H,28,30)/t12-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
GMP reductase 2


(Homo sapiens)
BDBM50456076
PNG
(CHEMBL4215758)
Show SMILES C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 |r|
Show InChI InChI=1S/C22H16N4O3/c1-14(28-19-5-3-2-4-16(19)13-23)21(27)25-17-6-7-20-18(12-17)26-22(29-20)15-8-10-24-11-9-15/h2-12,14H,1H3,(H,25,27)/t14-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
GMP reductase 2


(Homo sapiens)
BDBM50456077
PNG
(CHEMBL4211469)
Show SMILES COc1ccc(cc1)-c1nc2cc(NC(=O)[C@H](C)Oc3ccccc3C#N)ccc2o1 |r|
Show InChI InChI=1S/C24H19N3O4/c1-15(30-21-6-4-3-5-17(21)14-25)23(28)26-18-9-12-22-20(13-18)27-24(31-22)16-7-10-19(29-2)11-8-16/h3-13,15H,1-2H3,(H,26,28)/t15-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
GMP reductase 2


(Homo sapiens)
BDBM50456078
PNG
(CHEMBL4207934)
Show SMILES C[C@H](Oc1ccccc1O)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C23H17N3O4/c1-14(29-21-5-3-2-4-19(21)27)22(28)25-17-10-11-20-18(12-17)26-23(30-20)16-8-6-15(13-24)7-9-16/h2-12,14,27H,1H3,(H,25,28)/t14-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
GMP reductase 2


(Homo sapiens)
BDBM50456079
PNG
(CHEMBL4209344)
Show SMILES COc1ccc(cc1)-c1nc2cc(NC(=S)[C@H](C)Oc3cccc(Cl)c3Cl)ccc2o1 |r|
Show InChI InChI=1S/C23H18Cl2N2O3S/c1-13(29-20-5-3-4-17(24)21(20)25)23(31)26-15-8-11-19-18(12-15)27-22(30-19)14-6-9-16(28-2)10-7-14/h3-13H,1-2H3,(H,26,31)/t13-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
GMP reductase 2


(Homo sapiens)
BDBM50456080
PNG
(CHEMBL4215780)
Show SMILES COc1ccc(cc1)-c1cn2cc(NC(=O)[C@H](C)Oc3cccc(Cl)c3Cl)ccc2n1 |r|
Show InChI InChI=1S/C23H19Cl2N3O3/c1-14(31-20-5-3-4-18(24)22(20)25)23(29)26-16-8-11-21-27-19(13-28(21)12-16)15-6-9-17(30-2)10-7-15/h3-14H,1-2H3,(H,26,29)/t14-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
GMP reductase 2


(Homo sapiens)
BDBM50456081
PNG
(CHEMBL4210836)
Show SMILES COc1ccc(Cc2nc3cc(NC(=O)[C@H](C)Oc4cccc(Cl)c4Cl)ccc3o2)cc1 |r|
Show InChI InChI=1S/C24H20Cl2N2O4/c1-14(31-21-5-3-4-18(25)23(21)26)24(29)27-16-8-11-20-19(13-16)28-22(32-20)12-15-6-9-17(30-2)10-7-15/h3-11,13-14H,12H2,1-2H3,(H,27,29)/t14-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50432798
PNG
(CHEMBL2348814)
Show SMILES COc1ccc(OC(C)C(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)cc1
Show InChI InChI=1S/C22H19N3O4/c1-14(28-18-6-4-17(27-2)5-7-18)21(26)24-16-3-8-20-19(13-16)25-22(29-20)15-9-11-23-12-10-15/h3-14H,1-2H3,(H,24,26)
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50432790
PNG
(CHEMBL2348796)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 |r|
Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50456084
PNG
(CHEMBL4215374)
Show SMILES COc1cnccc1-c1nc2cc(NC(=O)[C@H](C)Oc3cccc(Cl)c3Cl)ccc2o1 |r|
Show InChI InChI=1S/C22H17Cl2N3O4/c1-12(30-18-5-3-4-15(23)20(18)24)21(28)26-13-6-7-17-16(10-13)27-22(31-17)14-8-9-25-11-19(14)29-2/h3-12H,1-2H3,(H,26,28)/t12-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50456065
PNG
(CHEMBL4204401)
Show SMILES COc1ccc(cn1)-c1nc2cc(NC(=O)[C@H](C)Oc3cccc(Cl)c3Cl)ccc2o1 |r|
Show InChI InChI=1S/C22H17Cl2N3O4/c1-12(30-18-5-3-4-15(23)20(18)24)21(28)26-14-7-8-17-16(10-14)27-22(31-17)13-6-9-19(29-2)25-11-13/h3-12H,1-2H3,(H,26,28)/t12-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50456085
PNG
(CHEMBL4213728)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C23H15Cl2F3N2O4/c1-12(32-19-4-2-3-16(24)20(19)25)21(31)29-14-7-10-18-17(11-14)30-22(33-18)13-5-8-15(9-6-13)34-23(26,27)28/h2-12H,1H3,(H,29,31)/t12-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50456087
PNG
(CHEMBL4208384)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H15Cl2FN2O3/c1-12(29-19-4-2-3-16(23)20(19)24)21(28)26-15-9-10-18-17(11-15)27-22(30-18)13-5-7-14(25)8-6-13/h2-12H,1H3,(H,26,28)/t12-/m0/s1
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National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50456088
PNG
(CHEMBL4218466)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C22H16Cl2N2O4/c1-12(29-19-7-3-6-16(23)20(19)24)21(28)25-14-8-9-18-17(11-14)26-22(30-18)13-4-2-5-15(27)10-13/h2-12,27H,1H3,(H,25,28)/t12-/m0/s1
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National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50456089
PNG
(CHEMBL4205578)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccccc1O |r|
Show InChI InChI=1S/C22H16Cl2N2O4/c1-12(29-19-8-4-6-15(23)20(19)24)21(28)25-13-9-10-18-16(11-13)26-22(30-18)14-5-2-3-7-17(14)27/h2-12,27H,1H3,(H,25,28)/t12-/m0/s1
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National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50456082
PNG
(CHEMBL4211507)
Show SMILES CCOC(=O)COc1ccc(cc1)-c1nc2cc(NC(=O)[C@H](C)Oc3cccc(Cl)c3Cl)ccc2o1 |r|
Show InChI InChI=1S/C26H22Cl2N2O6/c1-3-33-23(31)14-34-18-10-7-16(8-11-18)26-30-20-13-17(9-12-21(20)36-26)29-25(32)15(2)35-22-6-4-5-19(27)24(22)28/h4-13,15H,3,14H2,1-2H3,(H,29,32)/t15-/m0/s1
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National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50456090
PNG
(CHEMBL4210733)
Show SMILES CCOC(=O)COc1cccc(c1)-c1nc2cc(NC(=O)[C@H](C)Oc3cccc(Cl)c3Cl)ccc2o1 |r|
Show InChI InChI=1S/C26H22Cl2N2O6/c1-3-33-23(31)14-34-18-7-4-6-16(12-18)26-30-20-13-17(10-11-21(20)36-26)29-25(32)15(2)35-22-9-5-8-19(27)24(22)28/h4-13,15H,3,14H2,1-2H3,(H,29,32)/t15-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50456066
PNG
(CHEMBL4209336)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1cccc(OCC(O)=O)c1 |r|
Show InChI InChI=1S/C24H18Cl2N2O6/c1-13(33-20-7-3-6-17(25)22(20)26)23(31)27-15-8-9-19-18(11-15)28-24(34-19)14-4-2-5-16(10-14)32-12-21(29)30/h2-11,13H,12H2,1H3,(H,27,31)(H,29,30)/t13-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50456091
PNG
(CHEMBL4218662)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C(=O)NN |r|
Show InChI InChI=1S/C23H18Cl2N4O4/c1-12(32-19-4-2-3-16(24)20(19)25)21(30)27-15-9-10-18-17(11-15)28-23(33-18)14-7-5-13(6-8-14)22(31)29-26/h2-12H,26H2,1H3,(H,27,30)(H,29,31)/t12-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50456069
PNG
(CHEMBL4206398)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C(\N)=N/O |r|
Show InChI InChI=1S/C23H18Cl2N4O4/c1-12(32-19-4-2-3-16(24)20(19)25)22(30)27-15-9-10-18-17(11-15)28-23(33-18)14-7-5-13(6-8-14)21(26)29-31/h2-12,31H,1H3,(H2,26,29)(H,27,30)/t12-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50456071
PNG
(CHEMBL4210769)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)-n1cnnn1 |r|
Show InChI InChI=1S/C23H16Cl2N6O3/c1-13(33-20-4-2-3-17(24)21(20)25)22(32)27-15-7-10-19-18(11-15)28-23(34-19)14-5-8-16(9-6-14)31-12-26-29-30-31/h2-13H,1H3,(H,27,32)/t13-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50456072
PNG
(CHEMBL4209120)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(CN)cc1 |r|
Show InChI InChI=1S/C23H19Cl2N3O3/c1-13(30-20-4-2-3-17(24)21(20)25)22(29)27-16-9-10-19-18(11-16)28-23(31-19)15-7-5-14(12-26)6-8-15/h2-11,13H,12,26H2,1H3,(H,27,29)/t13-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50456093
PNG
(CHEMBL4213588)
Show SMILES C[C@H](Oc1cccc(F)c1F)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C22H16F2N2O4/c1-12(29-19-4-2-3-16(23)20(19)24)21(28)25-14-7-10-18-17(11-14)26-22(30-18)13-5-8-15(27)9-6-13/h2-12,27H,1H3,(H,25,28)/t12-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50456094
PNG
(CHEMBL4203197)
Show SMILES COc1ccc(cn1)-c1nc2cc(NC(=O)[C@H](C)Oc3cccc(F)c3F)ccc2o1 |r|
Show InChI InChI=1S/C22H17F2N3O4/c1-12(30-18-5-3-4-15(23)20(18)24)21(28)26-14-7-8-17-16(10-14)27-22(31-17)13-6-9-19(29-2)25-11-13/h3-12H,1-2H3,(H,26,28)/t12-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50456076
PNG
(CHEMBL4215758)
Show SMILES C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 |r|
Show InChI InChI=1S/C22H16N4O3/c1-14(28-19-5-3-2-4-16(19)13-23)21(27)25-17-6-7-20-18(12-17)26-22(29-20)15-8-10-24-11-9-15/h2-12,14H,1H3,(H,25,27)/t14-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50456095
PNG
(CHEMBL4216439)
Show SMILES C[C@H](Oc1cccc(F)c1C#N)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 |r|
Show InChI InChI=1S/C22H15FN4O3/c1-13(29-19-4-2-3-17(23)16(19)12-24)21(28)26-15-5-6-20-18(11-15)27-22(30-20)14-7-9-25-10-8-14/h2-11,13H,1H3,(H,26,28)/t13-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50456077
PNG
(CHEMBL4211469)
Show SMILES COc1ccc(cc1)-c1nc2cc(NC(=O)[C@H](C)Oc3ccccc3C#N)ccc2o1 |r|
Show InChI InChI=1S/C24H19N3O4/c1-15(30-21-6-4-3-5-17(21)14-25)23(28)26-18-9-12-22-20(13-18)27-24(31-22)16-7-10-19(29-2)11-8-16/h3-13,15H,1-2H3,(H,26,28)/t15-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50456096
PNG
(CHEMBL4203050)
Show SMILES C[C@H](Oc1cccc2COB(O)c12)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C24H18BN3O5/c1-14(32-21-4-2-3-17-13-31-25(30)22(17)21)23(29)27-18-9-10-20-19(11-18)28-24(33-20)16-7-5-15(12-26)6-8-16/h2-11,14,30H,13H2,1H3,(H,27,29)/t14-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
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