BDBM27503 5-AIQ::5-amino-1,2-dihydroisoquinolin-1-one::5-aminoisoquinolin-1(2H)-one::CHEMBL446240
SMILES: Nc1cccc2c1cc[nH]c2=O
InChI Key: InChIKey=SVASVGVAQIVSEZ-UHFFFAOYSA-N
Data: 12 IC50
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Poly [ADP-ribose] polymerase 1 (Bos taurus) | BDBM27503 (5-AIQ | 5-amino-1,2-dihydroisoquinolin-1-one | 5-a...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Inhibition of calf thymus PARP-1 | Bioorg Med Chem 21: 5218-27 (2013) Article DOI: 10.1016/j.bmc.2013.06.031 BindingDB Entry DOI: 10.7270/Q2BP047D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM27503 (5-AIQ | 5-amino-1,2-dihydroisoquinolin-1-one | 5-a...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Inhibition of PARP-1 (unknown origin) in broken nuclear preparation | Bioorg Med Chem 21: 5218-27 (2013) Article DOI: 10.1016/j.bmc.2013.06.031 BindingDB Entry DOI: 10.7270/Q2BP047D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
poly-ADP-ribose polymerase 2 (PARP2) (Mus musculus (Mouse)) | BDBM27503 (5-AIQ | 5-amino-1,2-dihydroisoquinolin-1-one | 5-a...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Inhibition of mouse PARP-2 | Bioorg Med Chem 21: 5218-27 (2013) Article DOI: 10.1016/j.bmc.2013.06.031 BindingDB Entry DOI: 10.7270/Q2BP047D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM27503 (5-AIQ | 5-amino-1,2-dihydroisoquinolin-1-one | 5-a...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Inhibition of human PARP-1 assessed as synthesis of [3H]-ADP-ribose polymers from [3H]-NAD+ by scintillation proximity assay | Bioorg Med Chem 21: 5218-27 (2013) Article DOI: 10.1016/j.bmc.2013.06.031 BindingDB Entry DOI: 10.7270/Q2BP047D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM27503 (5-AIQ | 5-amino-1,2-dihydroisoquinolin-1-one | 5-a...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.18E+3 | n/a | n/a | n/a | n/a | 7.8 | 22 |
University of Konstanz | Assay 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... | Mol Pharmacol 74: 1587-98 (2008) Article DOI: 10.1124/mol.108.048751 BindingDB Entry DOI: 10.7270/Q2M61HKG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
poly-ADP-ribose polymerase 2 (PARP2) (Mus musculus (Mouse)) | BDBM27503 (5-AIQ | 5-amino-1,2-dihydroisoquinolin-1-one | 5-a...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay | J Med Chem 54: 2049-59 (2011) Article DOI: 10.1021/jm1010918 BindingDB Entry DOI: 10.7270/Q24B31NC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM27503 (5-AIQ | 5-amino-1,2-dihydroisoquinolin-1-one | 5-a...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Inhibition of human recombinant PARP1 by Trevigen colorimetric assay | J Med Chem 52: 868-77 (2009) Article DOI: 10.1021/jm8013629 BindingDB Entry DOI: 10.7270/Q25M65KB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Poly [ADP-ribose] polymerase 1 (Bos taurus) | BDBM27503 (5-AIQ | 5-amino-1,2-dihydroisoquinolin-1-one | 5-a...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Inhibition of calf thymus PARP1 | J Med Chem 52: 868-77 (2009) Article DOI: 10.1021/jm8013629 BindingDB Entry DOI: 10.7270/Q25M65KB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM27503 (5-AIQ | 5-amino-1,2-dihydroisoquinolin-1-one | 5-a...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay | J Med Chem 54: 2049-59 (2011) Article DOI: 10.1021/jm1010918 BindingDB Entry DOI: 10.7270/Q24B31NC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
poly-ADP-ribose polymerase 2 (PARP2) (Mus musculus (Mouse)) | BDBM27503 (5-AIQ | 5-amino-1,2-dihydroisoquinolin-1-one | 5-a...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay | J Med Chem 54: 2049-59 (2011) Article DOI: 10.1021/jm1010918 BindingDB Entry DOI: 10.7270/Q24B31NC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM27503 (5-AIQ | 5-amino-1,2-dihydroisoquinolin-1-one | 5-a...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay | J Med Chem 54: 2049-59 (2011) Article DOI: 10.1021/jm1010918 BindingDB Entry DOI: 10.7270/Q24B31NC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
poly-ADP-ribose polymerase 2 (PARP2) (Mus musculus (Mouse)) | BDBM27503 (5-AIQ | 5-amino-1,2-dihydroisoquinolin-1-one | 5-a...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.82E+3 | n/a | n/a | n/a | n/a | 7.8 | 22 |
University of Konstanz | Assay 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... | Mol Pharmacol 74: 1587-98 (2008) Article DOI: 10.1124/mol.108.048751 BindingDB Entry DOI: 10.7270/Q2M61HKG | |||||||||||
More data for this Ligand-Target Pair |