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Compile Data Set for Download or QSAR

Found 456 hits Enz. Inhib. hit(s) with Target = 'Inosine-5'-monophosphate dehydrogenase' AND taxid = 5807   
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
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50100980
PNG
(CHEMBL2178617)
Show SMILES C\C(=N/O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Cl)c(c1)C(N)=O
Show InChI InChI=1S/C19H21ClN4O3/c1-11(24-27)12-5-4-6-13(9-12)19(2,3)23-18(26)22-14-7-8-16(20)15(10-14)17(21)25/h4-10,27H,1-3H3,(H2,21,25)(H2,22,23,26)/b24-11+
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 2n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Un-competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry

ACS Med Chem Lett 5: 846-50 (2014)


Article DOI: 10.1021/ml500203p
BindingDB Entry DOI: 10.7270/Q23J3FN3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50100893
PNG
(CHEMBL549612)
Show SMILES C[C@@H](Oc1cc[n+]([O-])c2ccccc12)c1cn(nn1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C19H15ClN4O2/c1-13(17-12-23(22-21-17)15-8-6-14(20)7-9-15)26-19-10-11-24(25)18-5-3-2-4-16(18)19/h2-13H,1H3/t13-/m1/s1
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 5n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Un-competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry

ACS Med Chem Lett 5: 846-50 (2014)


Article DOI: 10.1021/ml500203p
BindingDB Entry DOI: 10.7270/Q23J3FN3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50426014
PNG
(CHEMBL2315283)
Show SMILES Cn1nc(CC(=O)Nc2ccc3oc4CCCCc4c3c2)c2ccccc2c1=O
Show InChI InChI=1S/C23H21N3O3/c1-26-23(28)17-8-3-2-6-15(17)19(25-26)13-22(27)24-14-10-11-21-18(12-14)16-7-4-5-9-20(16)29-21/h2-3,6,8,10-12H,4-5,7,9,13H2,1H3,(H,24,27)
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 5n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Un-competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry

ACS Med Chem Lett 5: 846-50 (2014)


Article DOI: 10.1021/ml500203p
BindingDB Entry DOI: 10.7270/Q23J3FN3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50100893
PNG
(CHEMBL549612)
Show SMILES C[C@@H](Oc1cc[n+]([O-])c2ccccc12)c1cn(nn1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C19H15ClN4O2/c1-13(17-12-23(22-21-17)15-8-6-14(20)7-9-15)26-19-10-11-24(25)18-5-3-2-4-16(18)19/h2-13H,1H3/t13-/m1/s1
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 5n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry

ACS Med Chem Lett 5: 846-50 (2014)


Article DOI: 10.1021/ml500203p
BindingDB Entry DOI: 10.7270/Q23J3FN3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50100980
PNG
(CHEMBL2178617)
Show SMILES C\C(=N/O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Cl)c(c1)C(N)=O
Show InChI InChI=1S/C19H21ClN4O3/c1-11(24-27)12-5-4-6-13(9-12)19(2,3)23-18(26)22-14-7-8-16(20)15(10-14)17(21)25/h4-10,27H,1-3H3,(H2,21,25)(H2,22,23,26)/b24-11+
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 6n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry

ACS Med Chem Lett 5: 846-50 (2014)


Article DOI: 10.1021/ml500203p
BindingDB Entry DOI: 10.7270/Q23J3FN3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50100958
PNG
(CHEMBL3329562)
Show SMILES C\C(=N/O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C18H20BrN3O2/c1-12(22-24)13-5-4-6-14(11-13)18(2,3)21-17(23)20-16-9-7-15(19)8-10-16/h4-11,24H,1-3H3,(H2,20,21,23)/b22-12+
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 12n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Un-competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry

ACS Med Chem Lett 5: 846-50 (2014)


Article DOI: 10.1021/ml500203p
BindingDB Entry DOI: 10.7270/Q23J3FN3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50432791
PNG
(CHEMBL2348823)
Show SMILES C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 |r|
Show InChI InChI=1S/C25H19N3O3/c1-16(30-22-8-4-6-17-5-2-3-7-20(17)22)24(29)27-19-9-10-23-21(15-19)28-25(31-23)18-11-13-26-14-12-18/h2-16H,1H3,(H,27,29)/t16-/m0/s1
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 13n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry

ACS Med Chem Lett 5: 846-50 (2014)


Article DOI: 10.1021/ml500203p
BindingDB Entry DOI: 10.7270/Q23J3FN3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM81428
PNG
(N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-ben...)
Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)
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 13n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Un-competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry

ACS Med Chem Lett 5: 846-50 (2014)


Article DOI: 10.1021/ml500203p
BindingDB Entry DOI: 10.7270/Q23J3FN3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM81428
PNG
(N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-ben...)
Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)
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 14n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry

ACS Med Chem Lett 5: 846-50 (2014)


Article DOI: 10.1021/ml500203p
BindingDB Entry DOI: 10.7270/Q23J3FN3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50100958
PNG
(CHEMBL3329562)
Show SMILES C\C(=N/O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C18H20BrN3O2/c1-12(22-24)13-5-4-6-14(11-13)18(2,3)21-17(23)20-16-9-7-15(19)8-10-16/h4-11,24H,1-3H3,(H2,20,21,23)/b22-12+
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 15n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry

ACS Med Chem Lett 5: 846-50 (2014)


Article DOI: 10.1021/ml500203p
BindingDB Entry DOI: 10.7270/Q23J3FN3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50548442
PNG
(CHEMBL4754678)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
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 16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127543
BindingDB Entry DOI: 10.7270/Q2B27ZXR
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50548446
PNG
(CHEMBL4792331)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)Nc1ccc(cc1)C(F)(F)F
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 40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127543
BindingDB Entry DOI: 10.7270/Q2B27ZXR
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50548441
PNG
(CHEMBL4786474)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)Nc1ccc(Cl)c(Cl)c1
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 41n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127543
BindingDB Entry DOI: 10.7270/Q2B27ZXR
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50548444
PNG
(CHEMBL4745679)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)Nc1ccc(Cl)cc1
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 42n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127543
BindingDB Entry DOI: 10.7270/Q2B27ZXR
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50548440
PNG
(CHEMBL4790325)
Show SMILES COc1cc(NC(=O)CC\C(C)=C\Cc2c(O)c3C(=O)OCc3c(C)c2OC)ccc1Cl
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 46n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127543
BindingDB Entry DOI: 10.7270/Q2B27ZXR
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50426014
PNG
(CHEMBL2315283)
Show SMILES Cn1nc(CC(=O)Nc2ccc3oc4CCCCc4c3c2)c2ccccc2c1=O
Show InChI InChI=1S/C23H21N3O3/c1-26-23(28)17-8-3-2-6-15(17)19(25-26)13-22(27)24-14-10-11-21-18(12-14)16-7-4-5-9-20(16)29-21/h2-3,6,8,10-12H,4-5,7,9,13H2,1H3,(H,24,27)
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 49n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry

ACS Med Chem Lett 5: 846-50 (2014)


Article DOI: 10.1021/ml500203p
BindingDB Entry DOI: 10.7270/Q23J3FN3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50548450
PNG
(CHEMBL4749809)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCCCCC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
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 60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127543
BindingDB Entry DOI: 10.7270/Q2B27ZXR
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50548445
PNG
(CHEMBL4794916)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)Nc1ccc(F)cc1
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 60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127543
BindingDB Entry DOI: 10.7270/Q2B27ZXR
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50432791
PNG
(CHEMBL2348823)
Show SMILES C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 |r|
Show InChI InChI=1S/C25H19N3O3/c1-16(30-22-8-4-6-17-5-2-3-7-20(17)22)24(29)27-19-9-10-23-21(15-19)28-25(31-23)18-11-13-26-14-12-18/h2-16H,1H3,(H,27,29)/t16-/m0/s1
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 64n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Un-competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry

ACS Med Chem Lett 5: 846-50 (2014)


Article DOI: 10.1021/ml500203p
BindingDB Entry DOI: 10.7270/Q23J3FN3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50548452
PNG
(CHEMBL4795214)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CC(=O)Nc1ccc(Cl)cc1
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 66n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127543
BindingDB Entry DOI: 10.7270/Q2B27ZXR
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50548447
PNG
(CHEMBL4759843)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)Nc1ccc(cc1)C#N
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 110n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127543
BindingDB Entry DOI: 10.7270/Q2B27ZXR
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50548455
PNG
(CHEMBL4744226)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C\C(=O)Nc1ccc(Cl)cc1
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 130n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127543
BindingDB Entry DOI: 10.7270/Q2B27ZXR
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50548443
PNG
(CHEMBL4778448)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)Nc1cccc(Cl)c1Cl
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 143n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127543
BindingDB Entry DOI: 10.7270/Q2B27ZXR
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50548453
PNG
(CHEMBL4787083)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C[C@H]1C[C@]1(C)CCC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F |r|
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 176n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127543
BindingDB Entry DOI: 10.7270/Q2B27ZXR
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2


(Homo sapiens (Human))		BDBM19254
PNG
(IMP | Inosine | Inosinic acid | US11185100, TABLE ...)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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 250n/an/an/an/an/an/an/an/a



Roche Discovery Welwyn

Curated by ChEMBL


Assay Description
Inhibitory activity against Inosine-5'-monophosphate dehydrogenase

Bioorg Med Chem Lett 13: 1691-4 (2003)


BindingDB Entry DOI: 10.7270/Q21N83B7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50548454
PNG
(CHEMBL4762562)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C[C@@H]1C[C@@]1(C)CCC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F |r|
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 480n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127543
BindingDB Entry DOI: 10.7270/Q2B27ZXR
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50548451
PNG
(CHEMBL4787392)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOCC(=O)Nc1ccc(Cl)cc1
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 570n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127543
BindingDB Entry DOI: 10.7270/Q2B27ZXR
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50548448
PNG
(CHEMBL4758401)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)N(C)c1ccc(Cl)cc1
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 870n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127543
BindingDB Entry DOI: 10.7270/Q2B27ZXR
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2


(Homo sapiens (Human))		BDBM50222698
PNG
(CHEMBL607780)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)OC([C@@H]1O)n1cnc2c(O)nc(\C=C\F)nc12 |r|
Show InChI InChI=1S/C12H14FN4O8P/c13-2-1-6-15-10-7(11(20)16-6)14-4-17(10)12-9(19)8(18)5(25-12)3-24-26(21,22)23/h1-2,4-5,8-9,12,18-19H,3H2,(H,15,16,20)(H2,21,22,23)/b2-1+/t5-,8-,9-,12?/m1/s1
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 1.11E+3n/an/an/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of IMPDH (Inosine 5''-monophosphate dehydrogenase)from Escherichia coli B3 cells

Bioorg Med Chem Lett 13: 645-7 (2003)


BindingDB Entry DOI: 10.7270/Q2T155T4
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50548449
PNG
(CHEMBL4796033)
Show SMILES COc1c2C(=O)OCc2c(C)c(OC)c1C\C=C(/C)CCC(=O)N(C)c1ccc(Cl)c(c1)C(F)(F)F
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 1.70E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127543
BindingDB Entry DOI: 10.7270/Q2B27ZXR
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50548456
PNG
(CHEMBL4760324)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCCC(=O)Nc1ccc(Cl)cc1
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 2.80E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127543
BindingDB Entry DOI: 10.7270/Q2B27ZXR
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2


(Homo sapiens (Human))		BDBM50326433
PNG
(((2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9(6H)-yl)...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(O)=O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5+,6+,9-/m1/s1
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 3.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli

J Med Chem 27: 429-32 (1984)


BindingDB Entry DOI: 10.7270/Q2FJ2HZP
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2


(Homo sapiens (Human))		BDBM50225284
PNG
(CHEMBL610153)
Show SMILES COc1nc(O)c2ncn(C3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1 |r|
Show InChI InChI=1S/C11H15N4O9P/c1-22-11-13-8-5(9(18)14-11)12-3-15(8)10-7(17)6(16)4(24-10)2-23-25(19,20)21/h3-4,6-7,10,16-17H,2H2,1H3,(H,13,14,18)(H2,19,20,21)/t4-,6-,7-,10?/m0/s1
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 4.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli

J Med Chem 27: 429-32 (1984)


BindingDB Entry DOI: 10.7270/Q2FJ2HZP
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2


(Homo sapiens (Human))		BDBM50222697
PNG
(6-Cl-Purine Ribotide | CHEMBL1683023)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(Cl)ncnc12 |r|
Show InChI InChI=1S/C10H12ClN4O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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 6.20E+4n/an/an/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of IMPDH (Inosine 5''-monophosphate dehydrogenase)from Escherichia coli B3 cells

Bioorg Med Chem Lett 13: 645-7 (2003)


BindingDB Entry DOI: 10.7270/Q2T155T4
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2


(Homo sapiens (Human))		BDBM50225282
PNG
(CHEMBL611590)
Show SMILES O[C@H]1[C@H](COP(O)(O)=O)OC([C@H]1O)n1cnc2c(O)nc(Cl)nc12 |r|
Show InChI InChI=1S/C10H12ClN4O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,13,14,18)(H2,19,20,21)/t3-,5-,6-,9?/m0/s1
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 1.20E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli

J Med Chem 27: 429-32 (1984)


BindingDB Entry DOI: 10.7270/Q2FJ2HZP
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2


(Homo sapiens (Human))		BDBM50225281
PNG
(CHEMBL609835)
Show SMILES CCCc1nc(O)c2ncn(C3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1 |r|
Show InChI InChI=1S/C13H19N4O8P/c1-2-3-7-15-11-8(12(20)16-7)14-5-17(11)13-10(19)9(18)6(25-13)4-24-26(21,22)23/h5-6,9-10,13,18-19H,2-4H2,1H3,(H,15,16,20)(H2,21,22,23)/t6-,9-,10-,13?/m0/s1
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 1.90E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli

J Med Chem 27: 429-32 (1984)


BindingDB Entry DOI: 10.7270/Q2FJ2HZP
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2


(Homo sapiens (Human))		BDBM50225283
PNG
(CHEMBL610157)
Show SMILES Cc1nc(O)c2ncn(C3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1 |r|
Show InChI InChI=1S/C11H15N4O8P/c1-4-13-9-6(10(18)14-4)12-3-15(9)11-8(17)7(16)5(23-11)2-22-24(19,20)21/h3,5,7-8,11,16-17H,2H2,1H3,(H,13,14,18)(H2,19,20,21)/t5-,7-,8-,11?/m0/s1
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 6.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli

J Med Chem 27: 429-32 (1984)


BindingDB Entry DOI: 10.7270/Q2FJ2HZP
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		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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n/an/a 0.5n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...

J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		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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n/an/a 0.5n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium IMPDH preincubated for 10 mins before substrate addition by spectrophotometry

ACS Med Chem Lett 5: 846-50 (2014)


Article DOI: 10.1021/ml500203p
BindingDB Entry DOI: 10.7270/Q23J3FN3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50432774
PNG
(CHEMBL2348627)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2nc(oc2c1)-c1ccncc1 |r|
Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-17-4-2-3-15(22)19(17)23)20(27)25-14-5-6-16-18(11-14)29-21(26-16)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium IMPDH preincubated for 10 mins before substrate addition by spectrophotometry

ACS Med Chem Lett 5: 846-50 (2014)


Article DOI: 10.1021/ml500203p
BindingDB Entry DOI: 10.7270/Q23J3FN3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50432774
PNG
(CHEMBL2348627)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2nc(oc2c1)-c1ccncc1 |r|
Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-17-4-2-3-15(22)19(17)23)20(27)25-14-5-6-16-18(11-14)29-21(26-16)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...

J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50398421
PNG
(CHEMBL2178616)
Show SMILES CC(N=O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C18H19ClN4O4/c1-11(22-25)12-5-4-6-13(9-12)18(2,3)21-17(24)20-14-7-8-15(19)16(10-14)23(26)27/h4-11H,1-3H3,(H2,20,21,24)
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n/an/a 0.660n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum recombinant IMPDH expressed in Escherichia coli assessed as production of NADH incubated for 5 mins by fluoresce...

J Med Chem 55: 7759-71 (2012)


Article DOI: 10.1021/jm3007917
BindingDB Entry DOI: 10.7270/Q2GM88GS
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50398409
PNG
(CHEMBL2178626)
Show SMILES CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc2cccnc2c1
Show InChI InChI=1S/C22H23N3O/c1-15(2)17-7-5-9-18(13-17)22(3,4)25-21(26)24-19-11-10-16-8-6-12-23-20(16)14-19/h5-14H,1H2,2-4H3,(H2,24,25,26)
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n/an/a 0.800n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum recombinant IMPDH expressed in Escherichia coli assessed as production of NADH incubated for 5 mins by fluoresce...

J Med Chem 55: 7759-71 (2012)


Article DOI: 10.1021/jm3007917
BindingDB Entry DOI: 10.7270/Q2GM88GS
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50398423
PNG
(CHEMBL2178619)
Show SMILES CC(N=O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc2cccnc2c1
Show InChI InChI=1S/C21H22N4O2/c1-14(25-27)16-6-4-8-17(12-16)21(2,3)24-20(26)23-18-10-9-15-7-5-11-22-19(15)13-18/h4-14H,1-3H3,(H2,23,24,26)
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n/an/a 0.900n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum recombinant IMPDH expressed in Escherichia coli assessed as production of NADH incubated for 5 mins by fluoresce...

J Med Chem 55: 7759-71 (2012)


Article DOI: 10.1021/jm3007917
BindingDB Entry DOI: 10.7270/Q2GM88GS
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50398419
PNG
(CHEMBL2178618)
Show SMILES CC(N=O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C22H23N3O2/c1-15(25-27)17-9-6-10-19(13-17)22(2,3)24-21(26)23-20-12-11-16-7-4-5-8-18(16)14-20/h4-15H,1-3H3,(H2,23,24,26)
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n/an/a 1n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum recombinant IMPDH expressed in Escherichia coli assessed as production of NADH incubated for 5 mins by fluoresce...

J Med Chem 55: 7759-71 (2012)


Article DOI: 10.1021/jm3007917
BindingDB Entry DOI: 10.7270/Q2GM88GS
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50100981
PNG
(CHEMBL2178644)
Show SMILES C\C(=N/O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H19ClF3N3O2/c1-11(26-28)12-5-4-6-13(9-12)18(2,3)25-17(27)24-14-7-8-16(20)15(10-14)19(21,22)23/h4-10,28H,1-3H3,(H2,24,25,27)/b26-11+
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n/an/a 1n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium IMPDH preincubated for 10 mins before substrate addition by spectrophotometry

ACS Med Chem Lett 5: 846-50 (2014)


Article DOI: 10.1021/ml500203p
BindingDB Entry DOI: 10.7270/Q23J3FN3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		BDBM50398414
PNG
(CHEMBL2178644)
Show SMILES CC(N=O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H19ClF3N3O2/c1-11(26-28)12-5-4-6-13(9-12)18(2,3)25-17(27)24-14-7-8-16(20)15(10-14)19(21,22)23/h4-11H,1-3H3,(H2,24,25,27)
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Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum recombinant IMPDH expressed in Escherichia coli assessed as production of NADH incubated for 5 mins by fluoresce...

J Med Chem 55: 7759-71 (2012)


Article DOI: 10.1021/jm3007917
BindingDB Entry DOI: 10.7270/Q2GM88GS
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		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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n/an/a 1.10n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...

J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		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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n/an/a 1.20n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium IMPDH preincubated for 10 mins before substrate addition by spectrophotometry

ACS Med Chem Lett 5: 846-50 (2014)


Article DOI: 10.1021/ml500203p
BindingDB Entry DOI: 10.7270/Q23J3FN3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)		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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n/an/a 1.20n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...

J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
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