BDBM50146643 CHEMBL94384::N*1*-{(1S,2R)-3-[(3H-Benzo[1,2,5]oxadiazole-1-sulfonyl)-isobutyl-amino]-1-benzyl-2-hydroxy-propyl}-2-[((S)-quinoline-2-carbonyl)-amino]-succinamide
SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)S(=O)(=O)N1ONc2ccccc12
InChI Key: InChIKey=YVSHLJNQUPFXTP-GSBZAIBZSA-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) | BDBM50146643 (CHEMBL94384 | N*1*-{(1S,2R)-3-[(3H-Benzo[1,2,5]oxa...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Curated by ChEMBL | Assay Description Inhibitory activity of the compound against HIV-I protease was determined | J Med Chem 47: 2768-75 (2004) Article DOI: 10.1021/jm030543u BindingDB Entry DOI: 10.7270/Q2319VB4 | |||||||||||
More data for this Ligand-Target Pair |