BDBM50033454 (S)-3-[(S)-2-((S)-2-{(S)-2-[(2-Benzyl-3-phenyl-propionyl)-methyl-amino]-3-methyl-butyrylamino}-3,3-dimethyl-butyrylamino)-4-oxo-4-pyrrolidin-1-yl-butyrylamino]-N-((S)-1-hydroxymethyl-3,3-dimethyl-butyl)-succinamic acid::CHEMBL431654
SMILES: CC(C)[C@H](N(C)C(=O)C(Cc1ccccc1)Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CO)CC(C)(C)C)C(C)(C)C
InChI Key: InChIKey=UCIMDOSRCVIHNC-CFUBTRTNSA-N
Data: 2 EC50
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)) | BDBM50033454 ((S)-3-[(S)-2-((S)-2-{(S)-2-[(2-Benzyl-3-phenyl-pro...) | 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 | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc. Curated by ChEMBL | Assay Description Inhibitory activity against HSV-1 in baby hamster kidney cell | J Med Chem 38: 3617-23 (1995) BindingDB Entry DOI: 10.7270/Q21V5FMW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
RRM1/RRM2 holoenzyme (Homo sapiens (Human)) | BDBM50033454 ((S)-3-[(S)-2-((S)-2-{(S)-2-[(2-Benzyl-3-phenyl-pro...) | 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 | n/a | n/a | 3.90E+4 | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc. Curated by ChEMBL | Assay Description Inhibitory activity against HSV-2 in baby hamster kidney cell | J Med Chem 38: 3617-23 (1995) BindingDB Entry DOI: 10.7270/Q21V5FMW | |||||||||||
More data for this Ligand-Target Pair |