BDBM50285971 CHEMBL95546::[(1S,2R)-1-Benzyl-3-((3aR,6S,7aS)-6-tert-butylcarbamoyl-hexahydro-thieno[3,2-c]pyridin-5-yl)-2-hydroxy-propyl]-carbamic acid (2R,3R)-2-isopropyl-tetrahydro-thiophen-3-yl ester
SMILES: CC(C)[C@H]1SCC[C@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C
InChI Key: InChIKey=QLFYYBGXVAYDRB-GSYGMJNASA-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 |
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Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM50285971 (CHEMBL95546 | [(1S,2R)-1-Benzyl-3-((3aR,6S,7aS)-6-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories | Assay Description In vitro inhibition of HIV-1 protease. | Bioorg Med Chem Lett 5: 2891-6 (1995) Article DOI: 10.1016/0960-894X(95)00507-P BindingDB Entry DOI: 10.7270/Q2T43R7T | |||||||||||
More data for this Ligand-Target Pair |