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Compile Data Set for Download or QSAR

Found 161 hits with Last Name = 'ferraris' and Initial = 'dm'   
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
Aldehyde dehydrogenase family 1 member A3


(Homo sapiens (Human))
BDBM50538688
PNG
(CHEMBL4642789)
Show SMILES COC(=O)c1ccc(cc1)-c1cccn2cc(nc12)-c1ccccc1
Show InChI InChI=1S/C21H16N2O2/c1-25-21(24)17-11-9-15(10-12-17)18-8-5-13-23-14-19(22-20(18)23)16-6-3-2-4-7-16/h2-14H,1H3
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120n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant ALDH1A3 pre-incubated for 5 mins before acetaldehyde addition by continuous spectrometric assay relative ...


ACS Med Chem Lett 11: 963-970 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00686
BindingDB Entry DOI: 10.7270/Q2N301G7
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3


(Homo sapiens (Human))
BDBM50527781
PNG
(CHEMBL4456676)
Show SMILES c1c(nc2ccc(cn12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H14N2/c1-3-7-15(8-4-1)17-11-12-19-20-18(14-21(19)13-17)16-9-5-2-6-10-16/h1-14H
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540n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human 6His-tagged ALDH1A3 expressed in Escherichia coli BL21(DE3) using varying level of acetaldehyde as substr...


J Med Chem 63: 4603-4616 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01910
BindingDB Entry DOI: 10.7270/Q22V2KJT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinal dehydrogenase 2


(Homo sapiens (Human))
BDBM50538688
PNG
(CHEMBL4642789)
Show SMILES COC(=O)c1ccc(cc1)-c1cccn2cc(nc12)-c1ccccc1
Show InChI InChI=1S/C21H16N2O2/c1-25-21(24)17-11-9-15(10-12-17)18-8-5-13-23-14-19(22-20(18)23)16-6-3-2-4-7-16/h2-14H,1H3
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920n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant ALDH1A2 pre-incubated for 5 mins before acetaldehyde addition by continuous spectrometric assay relative ...


ACS Med Chem Lett 11: 963-970 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00686
BindingDB Entry DOI: 10.7270/Q2N301G7
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
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
GMP reductase 2


(Homo sapiens)
BDBM50456102
PNG
(CHEMBL4207404)
Show SMILES COc1ccc(cc1)-c1nc2cc(NC(=O)[C@H](C)Oc3ccccc3CN)ccc2o1 |r|
Show InChI InChI=1S/C24H23N3O4/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,14,25H2,1-2H3,(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
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50456100
PNG
(CHEMBL4209101)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)C1=CC=NCC1=O |r,c:28,t:26|
Show InChI InChI=1S/C21H15Cl2N3O4/c1-11(29-18-4-2-3-14(22)19(18)23)20(28)25-12-5-6-17-15(9-12)26-21(30-17)13-7-8-24-10-16(13)27/h2-9,11H,10H2,1H3,(H,25,28)/t11-/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))
BDBM50456098
PNG
(CHEMBL4214376)
Show SMILES COC(=O)c1ccc(cc1)-c1nc2cc(NC(=O)[C@H](C)Oc3cccc(Cl)c3Cl)ccc2o1 |r|
Show InChI InChI=1S/C24H18Cl2N2O5/c1-13(32-20-5-3-4-17(25)21(20)26)22(29)27-16-10-11-19-18(12-16)28-23(33-19)14-6-8-15(9-7-14)24(30)31-2/h3-13H,1-2H3,(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))
BDBM50456103
PNG
(CHEMBL4207011)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C(=O)NO |r|
Show InChI InChI=1S/C23H17Cl2N3O5/c1-12(32-19-4-2-3-16(24)20(19)25)21(29)26-15-9-10-18-17(11-15)27-23(33-18)14-7-5-13(6-8-14)22(30)28-31/h2-12,31H,1H3,(H,26,29)(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 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))
BDBM50456104
PNG
(CHEMBL4209137)
Show SMILES C[C@H](Oc1cccc(F)c1F)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 |r|
Show InChI InChI=1S/C21H15F2N3O3/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))
BDBM50456105
PNG
(CHEMBL4212299)
Show SMILES C[C@H](Oc1ccccc1OCc1ccccc1)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C30H23N3O4/c1-20(36-28-10-6-5-9-27(28)35-19-22-7-3-2-4-8-22)29(34)32-24-15-16-26-25(17-24)33-30(37-26)23-13-11-21(18-31)12-14-23/h2-17,20H,19H2,1H3,(H,32,34)/t20-/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)
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 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)
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 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)
BDBM50456103
PNG
(CHEMBL4207011)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C(=O)NO |r|
Show InChI InChI=1S/C23H17Cl2N3O5/c1-12(32-19-4-2-3-16(24)20(19)25)21(29)26-15-9-10-18-17(11-15)27-23(33-18)14-7-5-13(6-8-14)22(30)28-31/h2-12,31H,1H3,(H,26,29)(H,28,30)/t12-/m0/s1
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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)
BDBM50456104
PNG
(CHEMBL4209137)
Show SMILES C[C@H](Oc1cccc(F)c1F)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 |r|
Show InChI InChI=1S/C21H15F2N3O3/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 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)
BDBM50456105
PNG
(CHEMBL4212299)
Show SMILES C[C@H](Oc1ccccc1OCc1ccccc1)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C30H23N3O4/c1-20(36-28-10-6-5-9-27(28)35-19-22-7-3-2-4-8-22)29(34)32-24-15-16-26-25(17-24)33-30(37-26)23-13-11-21(18-31)12-14-23/h2-17,20H,19H2,1H3,(H,32,34)/t20-/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))
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 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)
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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>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))
BDBM50432765
PNG
(CHEMBL2348794)
Show SMILES C[C@H](Nc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 |r|
Show InChI InChI=1S/C21H16Cl2N4O2/c1-12(25-16-4-2-3-15(22)19(16)23)20(28)26-14-5-6-18-17(11-14)27-21(29-18)13-7-9-24-10-8-13/h2-12,25H,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 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))
BDBM50456106
PNG
(CHEMBL4207207)
Show SMILES COc1ccc(cc1)-c1nc2cc(NC(=O)[C@H](C)Oc3cccc(Cl)c3Cl)ccc2o1 |r|
Show InChI InChI=1S/C23H18Cl2N2O4/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 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))
BDBM50456101
PNG
(CHEMBL4213736)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C22H16Cl2N2O4/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))
BDBM50456099
PNG
(CHEMBL4215689)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(OCC(O)=O)cc1 |r|
Show InChI InChI=1S/C24H18Cl2N2O6/c1-13(33-20-4-2-3-17(25)22(20)26)23(31)27-15-7-10-19-18(11-15)28-24(34-19)14-5-8-16(9-6-14)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))
BDBM50456083
PNG
(CHEMBL4213733)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C23H16Cl2N2O5/c1-12(31-19-4-2-3-16(24)20(19)25)21(28)26-15-9-10-18-17(11-15)27-22(32-18)13-5-7-14(8-6-13)23(29)30/h2-12H,1H3,(H,26,28)(H,29,30)/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))
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 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))
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 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))
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 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))
BDBM50456102
PNG
(CHEMBL4207404)
Show SMILES COc1ccc(cc1)-c1nc2cc(NC(=O)[C@H](C)Oc3ccccc3CN)ccc2o1 |r|
Show InChI InChI=1S/C24H23N3O4/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,14,25H2,1-2H3,(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))
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 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)
BDBM50432765
PNG
(CHEMBL2348794)
Show SMILES C[C@H](Nc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 |r|
Show InChI InChI=1S/C21H16Cl2N4O2/c1-12(25-16-4-2-3-15(22)19(16)23)20(28)26-14-5-6-18-17(11-14)27-21(29-18)13-7-9-24-10-8-13/h2-12,25H,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)
BDBM50456106
PNG
(CHEMBL4207207)
Show SMILES COc1ccc(cc1)-c1nc2cc(NC(=O)[C@H](C)Oc3cccc(Cl)c3Cl)ccc2o1 |r|
Show InChI InChI=1S/C23H18Cl2N2O4/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)
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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>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)
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 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)
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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>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)
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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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)
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 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)
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 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)
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 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)
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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>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))
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
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