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BDBM50365448 CHEMBL1957256

SMILES: Clc1ccc(NC(=O)Cn2c(nc3ccccc23)-c2ccccn2)cc1

InChI Key: InChIKey=CEWKQYJGFZQFHU-UHFFFAOYSA-N

Data: 3 IC50

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   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 = 50365448   
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)
BDBM50365448
PNG
(CHEMBL1957256)
Show SMILES Clc1ccc(NC(=O)Cn2c(nc3ccccc23)-c2ccccn2)cc1
Show InChI InChI=1S/C20H15ClN4O/c21-14-8-10-15(11-9-14)23-19(26)13-25-18-7-2-1-5-16(18)24-20(25)17-6-3-4-12-22-17/h1-12H,13H2,(H,23,26)
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as NADH production preincubated for 5 mins by fluoresce...


Bioorg Med Chem Lett 22: 1985-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.029
BindingDB Entry DOI: 10.7270/Q2959JJB
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50365448
PNG
(CHEMBL1957256)
Show SMILES Clc1ccc(NC(=O)Cn2c(nc3ccccc23)-c2ccccn2)cc1
Show InChI InChI=1S/C20H15ClN4O/c21-14-8-10-15(11-9-14)23-19(26)13-25-18-7-2-1-5-16(18)24-20(25)17-6-3-4-12-22-17/h1-12H,13H2,(H,23,26)
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KEGG

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UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 22: 1985-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.029
BindingDB Entry DOI: 10.7270/Q2959JJB
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50365448
PNG
(CHEMBL1957256)
Show SMILES Clc1ccc(NC(=O)Cn2c(nc3ccccc23)-c2ccccn2)cc1
Show InChI InChI=1S/C20H15ClN4O/c21-14-8-10-15(11-9-14)23-19(26)13-25-18-7-2-1-5-16(18)24-20(25)17-6-3-4-12-22-17/h1-12H,13H2,(H,23,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as NADH production preincubated for 5 mins by fluoresce...


Bioorg Med Chem Lett 22: 1985-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.029
BindingDB Entry DOI: 10.7270/Q2959JJB
More data for this
Ligand-Target Pair