null

SMILES NC(=O)c1cccc(N)c1

InChI Key InChIKey=GSCPDZHWVNUUFI-UHFFFAOYSA-N

PDB links: 12 PDB IDs match this monomer. 86 PDB IDs contain this monomer as substructures. 86 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 27506   

TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL
LigandPNGBDBM27506(3-AB | 3-aminobenzamide | CHEMBL81977)copy SMILEScopy InChI
Affinity DataKi:  3.10E+3nMAssay Description:Inhibition of human Poly (ADP-ribose) polymerase 1 enzymeMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PK0FM4PubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL
LigandPNGBDBM27506(3-AB | 3-aminobenzamide | CHEMBL81977)copy SMILEScopy InChI
Affinity DataKi:  3.10E+3nMAssay Description:Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2542N1MPubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL
LigandPNGBDBM27506(3-AB | 3-aminobenzamide | CHEMBL81977)copy SMILEScopy InChI
Affinity DataKi:  3.10E+3nMAssay Description:In vitro inhibition against PARP L713F proteinMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MP52HJPubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL
LigandPNGBDBM27506(3-AB | 3-aminobenzamide | CHEMBL81977)copy SMILEScopy InChI
Affinity DataKi:  5.00E+3nMAssay Description:Inhibition of PARP1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Z03CPZPubMed
TargetPoly [ADP-ribose] polymerase 2(Mus musculus (Mouse))
Fujisawa Pharmaceutical Co. Ltd

LigandPNGBDBM27506(3-AB | 3-aminobenzamide | CHEMBL81977)copy SMILEScopy InChI
Affinity DataIC50: 9.81E+3nMT: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Mus musculus)
The University

Curated by ChEMBL
LigandPNGBDBM27506(3-AB | 3-aminobenzamide | CHEMBL81977)copy SMILEScopy InChI
Affinity DataIC50: 1.91E+4nMAssay Description:Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VX0FNKPubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL
LigandPNGBDBM27506(3-AB | 3-aminobenzamide | CHEMBL81977)copy SMILEScopy InChI
Affinity DataIC50: 3.30E+4nMAssay Description:The compound was tested for poly(ADP-ribose)polymerase (PARP) inhibitionMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2B857DNPubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL
LigandPNGBDBM27506(3-AB | 3-aminobenzamide | CHEMBL81977)copy SMILEScopy InChI
Affinity DataIC50: 1.12E+4nMAssay Description:In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21G0KQ6PubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL
LigandPNGBDBM27506(3-AB | 3-aminobenzamide | CHEMBL81977)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of PARP1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N58P2FPubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL
LigandPNGBDBM27506(3-AB | 3-aminobenzamide | CHEMBL81977)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of PARP1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KD20Q6PubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL
LigandPNGBDBM27506(3-AB | 3-aminobenzamide | CHEMBL81977)copy SMILEScopy InChI
Affinity DataIC50: 9.01E+3nMAssay Description:Inhibition of human recombinant PARP1More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53KPWPubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL
LigandPNGBDBM27506(3-AB | 3-aminobenzamide | CHEMBL81977)copy SMILEScopy InChI
Affinity DataIC50: 3.30E+3nMAssay Description:Inhibition of human PARP1 by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5N91PubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL
LigandPNGBDBM27506(3-AB | 3-aminobenzamide | CHEMBL81977)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of PARP1More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NV9JF0PubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL
LigandPNGBDBM27506(3-AB | 3-aminobenzamide | CHEMBL81977)copy SMILEScopy InChI
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of PARP1 using TACS-Sapphire substrate for 30 mins by colorimetryMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FT8MGPPubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL
LigandPNGBDBM27506(3-AB | 3-aminobenzamide | CHEMBL81977)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of PARP1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2736S9NPubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL
LigandPNGBDBM27506(3-AB | 3-aminobenzamide | CHEMBL81977)copy SMILEScopy InChI
Affinity DataIC50: 4.78E+3nMAssay Description:Inhibition of PARP1 (unknown origin) using activated DNA as substrate measured after 60 mins in presence of biotinylated NAD by colorimetric assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2736T92PubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL
LigandPNGBDBM27506(3-AB | 3-aminobenzamide | CHEMBL81977)copy SMILEScopy InChI
Affinity DataIC50: 1.12E+4nMpH: 8.0 T: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2610XPZPubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL
LigandPNGBDBM27506(3-AB | 3-aminobenzamide | CHEMBL81977)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+4nMpH: 8.0 T: 2°CAssay Description:The potency of inhibition on purified PARP enzyme was determined for selected compounds, and the potency was compared with that of 3-aminobenzamide (...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0RT9PubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL
LigandPNGBDBM27506(3-AB | 3-aminobenzamide | CHEMBL81977)copy SMILEScopy InChI
Affinity DataIC50: 1.70E+4nMMore data for this Ligand-Target Pair
In DepthDetails
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL
LigandPNGBDBM27506(3-AB | 3-aminobenzamide | CHEMBL81977)copy SMILEScopy InChI
Affinity DataIC50: 1.29E+4nMpH: 7.8 T: 2°CAssay Description:The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M61HKGPubMed
TargetPoly [ADP-ribose] polymerase 2(Mus musculus (Mouse))
Fujisawa Pharmaceutical Co. Ltd

LigandPNGBDBM27506(3-AB | 3-aminobenzamide | CHEMBL81977)copy SMILEScopy InChI
Affinity DataIC50: 4.17E+4nMpH: 7.8 T: 2°CAssay Description:The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...More data for this Ligand-Target Pair