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BDBM50378050 CHEMBL557281

SMILES: CC(C)C(Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1

InChI Key: InChIKey=QZKIXDSVUHUHBH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50378050   
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, probable


(Cryptosporidium parvum)
BDBM50378050
PNG
(CHEMBL557281)
Show SMILES CC(C)C(Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H20ClNO2/c1-14(2)20(21(24)23-17-12-10-16(22)11-13-17)25-19-9-5-7-15-6-3-4-8-18(15)19/h3-14,20H,1-2H3,(H,23,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/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)
BDBM50378050
PNG
(CHEMBL557281)
Show SMILES CC(C)C(Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H20ClNO2/c1-14(2)20(21(24)23-17-12-10-16(22)11-13-17)25-19-9-5-7-15-6-3-4-8-18(15)19/h3-14,20H,1-2H3,(H,23,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 830n/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)
BDBM50378050
PNG
(CHEMBL557281)
Show SMILES CC(C)C(Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H20ClNO2/c1-14(2)20(21(24)23-17-12-10-16(22)11-13-17)25-19-9-5-7-15-6-3-4-8-18(15)19/h3-14,20H,1-2H3,(H,23,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 710n/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


(Bacillus anthracis)
BDBM50378050
PNG
(CHEMBL557281)
Show SMILES CC(C)C(Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H20ClNO2/c1-14(2)20(21(24)23-17-12-10-16(22)11-13-17)25-19-9-5-7-15-6-3-4-8-18(15)19/h3-14,20H,1-2H3,(H,23,24)
PDB

GoogleScholar
AffyNet 
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 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