BDBM50255572 ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl 4-(2-oxo-2-(1-oxoisoindolin-4-ylamino)ethyl)piperazine-1-carboxylate::CHEMBL510733
SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)N2CCN(CC(=O)Nc3cccc4C(=O)NCc34)CC2)[C@@H](O)[C@H]1O
InChI Key: InChIKey=XOPDCDNHUYDKRE-UFRIGAJXSA-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)) | BDBM50255572 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology Curated by ChEMBL | Assay Description Inhibition of human recombinant PARP1 | J Med Chem 52: 718-25 (2009) Article DOI: 10.1021/jm800902t BindingDB Entry DOI: 10.7270/Q2C53KPW | |||||||||||
More data for this Ligand-Target Pair |