BDBM50000141 2-{2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(1H-indol-3-yl)-propionylamino]-propionylamino}-acetylamino)-3-hydroxy-butyrylamino]-3-methyl-butyrylamino}-3-methyl-pentanoylamino)-3-carbamoyl-propionylamino]-3-carboxy-propionylamino}-4-methyl-pentanoic acid::CHEMBL269718
SMILES: CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
InChI Key: InChIKey=JKQSQDGRQIRCKC-VJHOTSQMSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ribonucleoside-diphosphate reductase large subunit (Homo sapiens (Human)) | BDBM50000141 (2-{2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(1H-indol-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Notre-Dame Hospital Research Curated by ChEMBL | Assay Description Inhibitory concentration against HSV-1 ribonucleotide reductase R1 protein binding | J Med Chem 35: 346-50 (1992) BindingDB Entry DOI: 10.7270/Q2348JB2 | |||||||||||
More data for this Ligand-Target Pair |