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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 50432791   
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)
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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n/an/a 6.10n/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
3D
3D Structure (crystal)
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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n/an/a 8n/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
3D
3D Structure (crystal)
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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n/an/a 9n/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
3D
3D Structure (crystal)
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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n/an/a 14n/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
3D
3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
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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n/an/a>5.00E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


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 2


(Homo sapiens (Human))
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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PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


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