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BDBM50398417 CHEMBL2178652

SMILES: CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F

InChI Key: InChIKey=NTLVMPJCDHOJPI-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 = 50398417   
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)
BDBM50398417
PNG
(CHEMBL2178652)
Show SMILES CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H20ClF3N2O/c1-12(2)13-6-5-7-14(10-13)19(3,4)26-18(27)25-15-8-9-17(21)16(11-15)20(22,23)24/h5-11H,1H2,2-4H3,(H2,25,26,27)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/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)
BDBM50398417
PNG
(CHEMBL2178652)
Show SMILES CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H20ClF3N2O/c1-12(2)13-6-5-7-14(10-13)19(3,4)26-18(27)25-15-8-9-17(21)16(11-15)20(22,23)24/h5-11H,1H2,2-4H3,(H2,25,26,27)
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)
BDBM50398417
PNG
(CHEMBL2178652)
Show SMILES CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H20ClF3N2O/c1-12(2)13-6-5-7-14(10-13)19(3,4)26-18(27)25-15-8-9-17(21)16(11-15)20(22,23)24/h5-11H,1H2,2-4H3,(H2,25,26,27)
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 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, probable


(Cryptosporidium parvum)
BDBM50398417
PNG
(CHEMBL2178652)
Show SMILES CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H20ClF3N2O/c1-12(2)13-6-5-7-14(10-13)19(3,4)26-18(27)25-15-8-9-17(21)16(11-15)20(22,23)24/h5-11H,1H2,2-4H3,(H2,25,26,27)
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 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