null
SMILES: Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCC(CC1)C(=O)N1CCc2cccc3C(=O)NCC1c23
InChI Key: InChIKey=CSCBNPVHZXDTDS-UHFFFAOYSA-N
PDB links: 1 PDB ID matches this monomer.
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 (Homo sapiens (Human)) | BDBM50427929 (CHEMBL2323222) | PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of human recombinant PARP1 after 1 hr by ELISA | J Med Chem 56: 2885-903 (2013) Article DOI: 10.1021/jm301825t BindingDB Entry DOI: 10.7270/Q26M385C | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |