BDBM39220 (1-oxidanylidene-2H-isoquinolin-5-yl) benzoate::(1-oxo-2H-isoquinolin-5-yl) benzoate::CHEMBL1584950::MLS000042777::SMR000038018::benzoic acid (1-keto-2H-isoquinolin-5-yl) ester::benzoic acid (1-oxo-2H-isoquinolin-5-yl) ester::cid_659976
SMILES: O=C(Oc1cccc2c1cc[nH]c2=O)c1ccccc1
InChI Key: InChIKey=FFWUPFYTTMMSTH-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Rho-associated protein kinase 2 (Homo sapiens (Human)) | BDBM39220 ((1-oxidanylidene-2H-isoquinolin-5-yl) benzoate | (...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | PCBioAssay | n/a | n/a | 5.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2F769ZM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM39220 ((1-oxidanylidene-2H-isoquinolin-5-yl) benzoate | (...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 4.10E+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)) | BDBM39220 ((1-oxidanylidene-2H-isoquinolin-5-yl) benzoate | (...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 1.50E+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 |