BindingDB logo
myBDB logout

BDBM81428 N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-benzodiazol-1-yl]acetamide, Compound C91

SMILES: O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1

InChI Key: InChIKey=XYCMWFINXXFAFG-UHFFFAOYSA-N

Data: 4 KI  6 IC50

PDB links: 3 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 81428   
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)
BDBM81428
PNG
(N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-ben...)
Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Un-competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry


ACS Med Chem Lett 5: 846-50 (2014)

More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase, probable


(Cryptosporidium parvum)
BDBM81428
PNG
(N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-ben...)
Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry


ACS Med Chem Lett 5: 846-50 (2014)

More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM81428
PNG
(N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-ben...)
Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
44n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry


ACS Med Chem Lett 5: 846-50 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM81428
PNG
(N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-ben...)
Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
820n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry


ACS Med Chem Lett 5: 846-50 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Streptococcus pyogenes)
BDBM81428
PNG
(N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-ben...)
Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 5.40n/an/an/an/a8.025



Brandeis University



Assay Description
Inhibition assay using inosine 5'-onophosphate dehydrogenase (IMPD).


Chem Biol 17: 1084-91 (2010)

More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM81428
PNG
(N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-ben...)
Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/a8.025



Brandeis University



Assay Description
Inhibition assay using inosine 5'-onophosphate dehydrogenase (IMPD).


Chem Biol 17: 1084-91 (2010)

More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM81428
PNG
(N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-ben...)
Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

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)

More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM81428
PNG
(N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-ben...)
Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 8n/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)

More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM81428
PNG
(N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-ben...)
Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 14n/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)

More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Helicobacter pylori (strain G27))
BDBM81428
PNG
(N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-ben...)
Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.10n/an/an/an/a8.025



Brandeis University



Assay Description
Inhibition assay using inosine 5'-onophosphate dehydrogenase (IMPD).


Chem Biol 17: 1084-91 (2010)

More data for this
Ligand-Target Pair