BDBM910 (2S)-N-[(2S,3S)-5-{[cyclohexyl(1H-indol-2-yl)methyl]carbamoyl}-3-hydroxy-1-phenylpentan-2-yl]-2-(quinolin-2-ylformamido)butanediamide::4-Hydroxy-5- ((N-2-quinaloyl-L-asparagyl)amino)-phenylhexanoic Acid (a-(2-indolyl)cyclohexylmethyl)amide::C-terminal inhibitor 8
SMILES: NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NC(C1CCCCC1)c1cc2ccccc2[nH]1
InChI Key: InChIKey=XEUCNQHLDXXTQV-QLMONNNWSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM910 ((2S)-N-[(2S,3S)-5-{[cyclohexyl(1H-indol-2-yl)methy...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 180 | -9.56 | n/a | n/a | n/a | n/a | n/a | 5.5 | 37 |
Agouron Pharmaceuticals, Inc. | Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache... | J Med Chem 37: 2274-84 (1994) Article DOI: 10.1021/jm00041a005 BindingDB Entry DOI: 10.7270/Q29021XP | |||||||||||
More data for this Ligand-Target Pair |