null
SMILES: Cc1ccncc1-c1ccc(C[C@H](C[C@H](O)CN2CCN(C[C@H]2C(=O)NCC(F)(F)F)C(C)(C)c2ncc(s2)-c2ccc(Cl)cc2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)o1
InChI Key: InChIKey=WSSCUQOFDGTCKU-MGUGCBMQSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dimer of Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1) | BDBM9102 ((2S)-4-{2-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]pro...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | 5.5 | 30 |
Merck Research Laboratories | Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ... | Bioorg Med Chem Lett 15: 5311-4 (2005) Article DOI: 10.1016/j.bmcl.2005.08.072 BindingDB Entry DOI: 10.7270/Q26Q1VF8 | |||||||||||
More data for this Ligand-Target Pair |