BDBM50145143 CHEMBL3765528
SMILES: Cn1ncnc1C1C(Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1
InChI Key: InChIKey=HWGQMRYQVZSGDQ-UHFFFAOYSA-N
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)) | BDBM50145143 (CHEMBL3765528) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | n/a | n/a | 5.5 | n/a | n/a | n/a | n/a |
BioMarin Pharmaceutical Inc. Curated by ChEMBL | Assay Description Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay | J Med Chem 59: 335-57 (2016) BindingDB Entry DOI: 10.7270/Q2K35WJR | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM50145143 (CHEMBL3765528) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
BioMarin Pharmaceutical Inc. Curated by ChEMBL | Assay Description Inhibition of human PARP1 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis | J Med Chem 59: 335-57 (2016) BindingDB Entry DOI: 10.7270/Q2K35WJR | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |