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BDBM50106187 Benzenecarboxamide::Benzoic acid amide::Benzoylamide::CHEMBL267373::Phenylcarboxamide::Phenylcarboxyamide::benzamide

SMILES: NC(=O)c1ccccc1

InChI Key: InChIKey=KXDAEFPNCMNJSK-UHFFFAOYSA-N

Data: 4 IC50  1 ITC

PDB links: 6 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 4 hits for monomerid = 50106187   
Target
(Institution)
LigandTarget
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
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50106187
PNG
(Benzenecarboxamide | Benzoic acid amide | Benzoyla...)
Show SMILES NC(=O)c1ccccc1
Show InChI InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
The compound was tested for poly(ADP-ribose)polymerase (PARP) inhibition


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50106187
PNG
(Benzenecarboxamide | Benzoic acid amide | Benzoyla...)
Show SMILES NC(=O)c1ccccc1
Show InChI InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
KEGG
MMDB
PC cid
PC sid
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UniChem

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Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50106187
PNG
(Benzenecarboxamide | Benzoic acid amide | Benzoyla...)
Show SMILES NC(=O)c1ccccc1
Show InChI InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
KEGG
MMDB
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PC sid
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UniChem

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Article
PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 using [32P]-NAD+ after 15 mins


Citation and Details
More data for this
Ligand-Target Pair
poly(ADP-ribose) glycohydrolase (PARG)


(Homo sapiens (Human))
BDBM50106187
PNG
(Benzenecarboxamide | Benzoic acid amide | Benzoyla...)
Show SMILES NC(=O)c1ccccc1
Show InChI InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PARG using [alpha-32P]ADP-ribose polymers after 5 mins by TRAP assay


Citation and Details
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50106187
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM36284
JPEG
BDBM50106187
JPEG
CHEBI
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-5.63n/an/a4.11725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)