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3 similar compounds to monomer 50398417

Compile data set for download or QSAR
Wt: 398.8
BDBM50398404
Wt: 413.8
BDBM50398414
Wt: 328.8
BDBM50398445

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50398404,50398414,50398445   
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)
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)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (IMPDH)


(Cryptosporidium parvum)
BDBM50398404
PNG
(CHEMBL2178635)
Show SMILES CC(=O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H18ClF3N2O2/c1-11(26)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/h4-10H,1-3H3,(H2,24,25,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/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 (IMPDH)


(Cryptosporidium parvum)
BDBM50398445
PNG
(CHEMBL2178646)
Show SMILES CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O/c1-13(2)14-6-5-7-15(12-14)19(3,4)22-18(23)21-17-10-8-16(20)9-11-17/h5-12H,1H2,2-4H3,(H2,21,22,23)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/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 (IMPDH)


(Cryptosporidium parvum)
BDBM50398445
PNG
(CHEMBL2178646)
Show SMILES CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O/c1-13(2)14-6-5-7-15(12-14)19(3,4)22-18(23)21-17-10-8-16(20)9-11-17/h5-12H,1H2,2-4H3,(H2,21,22,23)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 37n/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 in presence of 0.05% fatty acid f...


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 (IMPDH)


(Cryptosporidium parvum)
BDBM50398404
PNG
(CHEMBL2178635)
Show SMILES CC(=O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H18ClF3N2O2/c1-11(26)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/h4-10H,1-3H3,(H2,24,25,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/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 in presence of 0.05% fatty acid f...


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 (IMPDH)


(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)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/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 in presence of 0.05% fatty acid f...


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