BDBM50033457 1-[(S)-((S)-1-Carboxy-3-methyl-butylcarbamoyl)-((S)-2-{(S)-3-methyl-2-[(S)-3-methyl-2-(3-phenyl-propionylamino)-butyrylamino]-butyrylamino}-4-oxo-4-pyrrolidin-1-yl-butyrylamino)-methyl]-cyclopentanecarboxylic acid::CHEMBL98729
SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCc1ccccc1)C(C)C)C(C)C)C1(CCCC1)C(O)=O)C(O)=O
InChI Key: InChIKey=KHGXQGMNQMAHKJ-QSAKORRRSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
RRM1/RRM2 holoenzyme (Homo sapiens (Human)) | BDBM50033457 (1-[(S)-((S)-1-Carboxy-3-methyl-butylcarbamoyl)-((S...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc. Curated by ChEMBL | Assay Description In vitro inhibitory activity against HSV ribonucleotide reductase | J Med Chem 38: 3617-23 (1995) BindingDB Entry DOI: 10.7270/Q21V5FMW | |||||||||||
More data for this Ligand-Target Pair |