BindingDB logo
myBDB logout

4 similar compounds to monomer 81428

Compile data set for download or QSAR
Wt: 350.8
BDBM50365445
Wt: 387.8
BDBM50365446
Wt: 397.2
BDBM50365447
Wt: 362.8
BDBM50365448
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50365445,50365446,50365447,50365448   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50365447
PNG
(CHEMBL1957257)
Show SMILES Clc1ccc(NC(=O)Cn2c(nc3ccccc23)-c2ccccn2)cc1Cl
Show InChI InChI=1S/C20H14Cl2N4O/c21-14-9-8-13(11-15(14)22)24-19(27)12-26-18-7-2-1-5-16(18)25-20(26)17-6-3-4-10-23-17/h1-11H,12H2,(H,24,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 1985-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.029
BindingDB Entry DOI: 10.7270/Q2959JJB
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50365446
PNG
(CHEMBL1957259)
Show SMILES Clc1ccc(NC(=O)Cn2c(nc3ccccc23)-c2ccccn2)cc1C#N
Show InChI InChI=1S/C21H14ClN5O/c22-16-9-8-15(11-14(16)12-23)25-20(28)13-27-19-7-2-1-5-17(19)26-21(27)18-6-3-4-10-24-18/h1-11H,13H2,(H,25,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 1985-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.029
BindingDB Entry DOI: 10.7270/Q2959JJB
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50365448
PNG
(CHEMBL1957256)
Show SMILES Clc1ccc(NC(=O)Cn2c(nc3ccccc23)-c2ccccn2)cc1
Show InChI InChI=1S/C20H15ClN4O/c21-14-8-10-15(11-9-14)23-19(26)13-25-18-7-2-1-5-16(18)24-20(25)17-6-3-4-12-22-17/h1-12H,13H2,(H,23,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 1985-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.029
BindingDB Entry DOI: 10.7270/Q2959JJB
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50365445
PNG
(CHEMBL1957260)
Show SMILES Clc1ccc(NC(=O)Cn2c(nc3ccccc23)-c2ccc[nH]2)cc1
Show InChI InChI=1S/C19H15ClN4O/c20-13-7-9-14(10-8-13)22-18(25)12-24-17-6-2-1-4-15(17)23-19(24)16-5-3-11-21-16/h1-11,21H,12H2,(H,22,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 1985-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.029
BindingDB Entry DOI: 10.7270/Q2959JJB
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50365447
PNG
(CHEMBL1957257)
Show SMILES Clc1ccc(NC(=O)Cn2c(nc3ccccc23)-c2ccccn2)cc1Cl
Show InChI InChI=1S/C20H14Cl2N4O/c21-14-9-8-13(11-15(14)22)24-19(27)12-26-18-7-2-1-5-16(18)25-20(26)17-6-3-4-10-23-17/h1-11H,12H2,(H,24,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 1985-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.029
BindingDB Entry DOI: 10.7270/Q2959JJB
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50365448
PNG
(CHEMBL1957256)
Show SMILES Clc1ccc(NC(=O)Cn2c(nc3ccccc23)-c2ccccn2)cc1
Show InChI InChI=1S/C20H15ClN4O/c21-14-8-10-15(11-9-14)23-19(26)13-25-18-7-2-1-5-16(18)24-20(25)17-6-3-4-12-22-17/h1-12H,13H2,(H,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 22: 1985-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.029
BindingDB Entry DOI: 10.7270/Q2959JJB
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50365448
PNG
(CHEMBL1957256)
Show SMILES Clc1ccc(NC(=O)Cn2c(nc3ccccc23)-c2ccccn2)cc1
Show InChI InChI=1S/C20H15ClN4O/c21-14-8-10-15(11-9-14)23-19(26)13-25-18-7-2-1-5-16(18)24-20(25)17-6-3-4-12-22-17/h1-12H,13H2,(H,23,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 1985-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.029
BindingDB Entry DOI: 10.7270/Q2959JJB
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50365445
PNG
(CHEMBL1957260)
Show SMILES Clc1ccc(NC(=O)Cn2c(nc3ccccc23)-c2ccc[nH]2)cc1
Show InChI InChI=1S/C19H15ClN4O/c20-13-7-9-14(10-8-13)22-18(25)12-24-17-6-2-1-4-15(17)23-19(24)16-5-3-11-21-16/h1-11,21H,12H2,(H,22,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 1985-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.029
BindingDB Entry DOI: 10.7270/Q2959JJB
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50365445
PNG
(CHEMBL1957260)
Show SMILES Clc1ccc(NC(=O)Cn2c(nc3ccccc23)-c2ccc[nH]2)cc1
Show InChI InChI=1S/C19H15ClN4O/c20-13-7-9-14(10-8-13)22-18(25)12-24-17-6-2-1-4-15(17)23-19(24)16-5-3-11-21-16/h1-11,21H,12H2,(H,22,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 22: 1985-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.029
BindingDB Entry DOI: 10.7270/Q2959JJB
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50365446
PNG
(CHEMBL1957259)
Show SMILES Clc1ccc(NC(=O)Cn2c(nc3ccccc23)-c2ccccn2)cc1C#N
Show InChI InChI=1S/C21H14ClN5O/c22-16-9-8-15(11-14(16)12-23)25-20(28)13-27-19-7-2-1-5-17(19)26-21(27)18-6-3-4-10-24-18/h1-11H,13H2,(H,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 22: 1985-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.029
BindingDB Entry DOI: 10.7270/Q2959JJB
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50365447
PNG
(CHEMBL1957257)
Show SMILES Clc1ccc(NC(=O)Cn2c(nc3ccccc23)-c2ccccn2)cc1Cl
Show InChI InChI=1S/C20H14Cl2N4O/c21-14-9-8-13(11-15(14)22)24-19(27)12-26-18-7-2-1-5-16(18)25-20(26)17-6-3-4-10-23-17/h1-11H,12H2,(H,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 22: 1985-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.029
BindingDB Entry DOI: 10.7270/Q2959JJB
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50365446
PNG
(CHEMBL1957259)
Show SMILES Clc1ccc(NC(=O)Cn2c(nc3ccccc23)-c2ccccn2)cc1C#N
Show InChI InChI=1S/C21H14ClN5O/c22-16-9-8-15(11-14(16)12-23)25-20(28)13-27-19-7-2-1-5-17(19)26-21(27)18-6-3-4-10-24-18/h1-11H,13H2,(H,25,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 1985-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.029
BindingDB Entry DOI: 10.7270/Q2959JJB
More data for this
Ligand-Target Pair