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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: 2 KI  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 6 hits for monomerid = 50106187   
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
Coagulation factor III/Factor VIIa (fVIIa)


(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)
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Article
PubMed
4.90E+7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R & D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins


ACS Med Chem Lett 7: 1077-1081 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(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)
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4.90E+7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...


J Med Chem 58: 2799-808 (2015)


BindingDB Entry DOI: 10.7270/Q28D007C
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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)
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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


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
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)
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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


J Med Chem 54: 5403-13 (2011)


Article DOI: 10.1021/jm200325s
BindingDB Entry DOI: 10.7270/Q2416XFG
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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)
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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


J Med Chem 44: 3786-94 (2001)


Article DOI: 10.1021/jm010116l
BindingDB Entry DOI: 10.7270/Q2B857DN
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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
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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


J Med Chem 54: 5403-13 (2011)


Article DOI: 10.1021/jm200325s
BindingDB Entry DOI: 10.7270/Q2416XFG
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
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)