BDBM50281648 CHEMBL166640::[(S)-1-((1S,2S,4S)-1-Cyclohexylmethyl-2-hydroxy-5-methyl-4-{(S)-2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butylcarbamoyl}-hexylcarbamoyl)-2-(1H-imidazol-4-yl)-ethyl]-carbamic acid tert-butyl ester
SMILES: CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1
InChI Key: InChIKey=JEMNPQLEUQPAEE-PKUHJGSNSA-N
Data: 1 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM50281648 (CHEMBL166640 | [(S)-1-((1S,2S,4S)-1-Cyclohexylmeth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Evaluated for inhibitory activity against HIV-1 protease | Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ | |||||||||||
More data for this Ligand-Target Pair |