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BDBM50378052 CHEMBL564187

SMILES: Clc1ccc(NC(=O)C(Oc2cccc3ccccc23)c2ccccc2)cc1

InChI Key: InChIKey=JUCNFUWQDHEFCI-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50378052   
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)
BDBM50378052
PNG
(CHEMBL564187)
Show SMILES Clc1ccc(NC(=O)C(Oc2cccc3ccccc23)c2ccccc2)cc1
Show InChI InChI=1S/C24H18ClNO2/c25-19-13-15-20(16-14-19)26-24(27)23(18-8-2-1-3-9-18)28-22-12-6-10-17-7-4-5-11-21(17)22/h1-16,23H,(H,26,27)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+3n/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 (IMPDH)


(Cryptosporidium parvum)
BDBM50378052
PNG
(CHEMBL564187)
Show SMILES Clc1ccc(NC(=O)C(Oc2cccc3ccccc23)c2ccccc2)cc1
Show InChI InChI=1S/C24H18ClNO2/c25-19-13-15-20(16-14-19)26-24(27)23(18-8-2-1-3-9-18)28-22-12-6-10-17-7-4-5-11-21(17)22/h1-16,23H,(H,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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
Inosine-5'-monophosphate dehydrogenase, probable


(Cryptosporidium parvum)
BDBM50378052
PNG
(CHEMBL564187)
Show SMILES Clc1ccc(NC(=O)C(Oc2cccc3ccccc23)c2ccccc2)cc1
Show InChI InChI=1S/C24H18ClNO2/c25-19-13-15-20(16-14-19)26-24(27)23(18-8-2-1-3-9-18)28-22-12-6-10-17-7-4-5-11-21(17)22/h1-16,23H,(H,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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