BDBM27136 2-[(2S)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazole-4-carboxamide::benzimidazole carboxamide, 4a
SMILES: C[C@]1(CCCN1)c1nc2cccc(C(N)=O)c2[nH]1
InChI Key: InChIKey=JNAHVYVRKWKWKQ-ZDUSSCGKSA-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)) | BDBM27136 (2-[(2S)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 5 | -11.2 | n/a | n/a | n/a | n/a | n/a | 8.0 | 22 |
Abbott Laboratories | Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer... | J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |