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2 similar compounds to monomer 50378050

Compile data set for download or QSAR
Wt: 325.7
BDBM50378051
Wt: 351.8
BDBM50378053

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50378051,50378053   
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


(Bacillus anthracis)
BDBM50378053
PNG
(CHEMBL564117)
Show SMILES Clc1ccc(NC(=O)C(Oc2cccc3ccccc23)C2CC2)cc1
Show InChI InChI=1S/C21H18ClNO2/c22-16-10-12-17(13-11-16)23-21(24)20(15-8-9-15)25-19-7-3-5-14-4-1-2-6-18(14)19/h1-7,10-13,15,20H,8-9H2,(H,23,24)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis 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, probable


(Cryptosporidium parvum)
BDBM50378053
PNG
(CHEMBL564117)
Show SMILES Clc1ccc(NC(=O)C(Oc2cccc3ccccc23)C2CC2)cc1
Show InChI InChI=1S/C21H18ClNO2/c22-16-10-12-17(13-11-16)23-21(24)20(15-8-9-15)25-19-7-3-5-14-4-1-2-6-18(14)19/h1-7,10-13,15,20H,8-9H2,(H,23,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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 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 (IMPDH)


(Cryptosporidium parvum)
BDBM50378051
PNG
(CHEMBL561635)
Show SMILES CC(Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C19H16ClNO2/c1-13(19(22)21-16-11-9-15(20)10-12-16)23-18-8-4-6-14-5-2-3-7-17(14)18/h2-13H,1H3,(H,21,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.64E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum recombinant IMPDH expressed in Escherichia coli TX685 assessed as NADH production by fluorescence assay in prese...


J Med Chem 52: 4623-30 (2009)


Article DOI: 10.1021/jm900410u
BindingDB Entry DOI: 10.7270/Q2HM59C1
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50378051
PNG
(CHEMBL561635)
Show SMILES CC(Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C19H16ClNO2/c1-13(19(22)21-16-11-9-15(20)10-12-16)23-18-8-4-6-14-5-2-3-7-17(14)18/h2-13H,1H3,(H,21,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.06E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum recombinant IMPDH expressed in Escherichia coli TX685 assessed as NADH production by fluorescence assay in absen...


J Med Chem 52: 4623-30 (2009)


Article DOI: 10.1021/jm900410u
BindingDB Entry DOI: 10.7270/Q2HM59C1
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50378053
PNG
(CHEMBL564117)
Show SMILES Clc1ccc(NC(=O)C(Oc2cccc3ccccc23)C2CC2)cc1
Show InChI InChI=1S/C21H18ClNO2/c22-16-10-12-17(13-11-16)23-21(24)20(15-8-9-15)25-19-7-3-5-14-4-1-2-6-18(14)19/h1-7,10-13,15,20H,8-9H2,(H,23,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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 Cryptosporidium parvum recombinant IMPDH expressed in Escherichia coli TX685 assessed as NADH production by fluorescence assay in absen...


J Med Chem 52: 4623-30 (2009)


Article DOI: 10.1021/jm900410u
BindingDB Entry DOI: 10.7270/Q2HM59C1
More data for this
Ligand-Target Pair