BDBM50309236 6-(4-fluoro-3-(4-(1-(phenylamino)cyclopentanecarbonyl)piperazine-1-carbonyl)benzyl)-4,5-dimethylpyridazin-3(2H)-one::CHEMBL598752
SMILES: Cc1c(C)c(=O)[nH]nc1Cc1ccc(F)c(c1)C(=O)N1CCN(CC1)C(=O)C1(CCCC1)Nc1ccccc1
InChI Key: InChIKey=JBRLKAQINFPJGH-UHFFFAOYSA-N
Data: 1 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 |
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Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM50309236 (6-(4-fluoro-3-(4-(1-(phenylamino)cyclopentanecarbo...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Rome Curated by ChEMBL | Assay Description Inhibition of PARP1 | Bioorg Med Chem Lett 20: 1100-5 (2010) Article DOI: 10.1016/j.bmcl.2009.11.087 BindingDB Entry DOI: 10.7270/Q2Z89CJ6 | |||||||||||
More data for this Ligand-Target Pair |