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5 similar compounds to monomer 50040479

Compile data set for download or QSAR
Wt: 383.7
BDBM50040476
Wt: 349.3
BDBM50040492
Wt: 397.8
BDBM50040471
Wt: 379.3
BDBM50040478
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Wt: 349.3
BDBM50040491
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50040476,50040492,50040471,50040478,50040491   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50040471
PNG
(CHEMBL3360637)
Show SMILES COc1cc(ccc1Cl)N(C)C(=O)Cn1ncc2c1c1ccccc1oc2=O
Show InChI InChI=1S/C20H16ClN3O4/c1-23(12-7-8-15(21)17(9-12)27-2)18(25)11-24-19-13-5-3-4-6-16(13)28-20(26)14(19)10-22-24/h3-10H,11H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Houston

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum IMPDH assessed as reduction in NADH production


J Med Chem 57: 10544-50 (2014)


Article DOI: 10.1021/jm501527z
BindingDB Entry DOI: 10.7270/Q2XS5X1F
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50040476
PNG
(CHEMBL3360632)
Show SMILES COc1cc(NC(=O)Cn2ncc3c2c2ccccc2oc3=O)ccc1Cl
Show InChI InChI=1S/C19H14ClN3O4/c1-26-16-8-11(6-7-14(16)20)22-17(24)10-23-18-12-4-2-3-5-15(12)27-19(25)13(18)9-21-23/h2-9H,10H2,1H3,(H,22,24)
PDB
MMDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum IMPDH assessed as reduction in NADH production


J Med Chem 57: 10544-50 (2014)


Article DOI: 10.1021/jm501527z
BindingDB Entry DOI: 10.7270/Q2XS5X1F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50040492
PNG
(CHEMBL3360621)
Show SMILES COc1cccc(NC(=O)Cn2cc3c(n2)c2ccccc2oc3=O)c1
Show InChI InChI=1S/C19H15N3O4/c1-25-13-6-4-5-12(9-13)20-17(23)11-22-10-15-18(21-22)14-7-2-3-8-16(14)26-19(15)24/h2-10H,11H2,1H3,(H,20,23)
PDB
MMDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Houston

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum IMPDH assessed as reduction in NADH production


J Med Chem 57: 10544-50 (2014)


Article DOI: 10.1021/jm501527z
BindingDB Entry DOI: 10.7270/Q2XS5X1F
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50040491
PNG
(CHEMBL3360622)
Show SMILES COc1cccc(NC(=O)Cn2ncc3c2c2ccccc2oc3=O)c1
Show InChI InChI=1S/C19H15N3O4/c1-25-13-6-4-5-12(9-13)21-17(23)11-22-18-14-7-2-3-8-16(14)26-19(24)15(18)10-20-22/h2-10H,11H2,1H3,(H,21,23)
PDB
MMDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum IMPDH assessed as reduction in NADH production


J Med Chem 57: 10544-50 (2014)


Article DOI: 10.1021/jm501527z
BindingDB Entry DOI: 10.7270/Q2XS5X1F
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50040478
PNG
(CHEMBL3360630)
Show SMILES COc1ccc(NC(=O)Cn2ncc3c2c2ccccc2oc3=O)cc1OC
Show InChI InChI=1S/C20H17N3O5/c1-26-16-8-7-12(9-17(16)27-2)22-18(24)11-23-19-13-5-3-4-6-15(13)28-20(25)14(19)10-21-23/h3-10H,11H2,1-2H3,(H,22,24)
PDB
MMDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum IMPDH assessed as reduction in NADH production


J Med Chem 57: 10544-50 (2014)


Article DOI: 10.1021/jm501527z
BindingDB Entry DOI: 10.7270/Q2XS5X1F
More data for this
Ligand-Target Pair