BDBM9143 (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]carbamoyl}butyl]-4-{[5-(pyridin-4-yl)furan-2-yl]methyl}-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide::P3 biaryl pyridylfuran analog 4
SMILES: O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccc(o2)-c2ccncc2)C[C@H]1C(=O)NCC(F)(F)F
InChI Key: InChIKey=LJMLRDFXBGZNOB-WZXFIOQESA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM9143 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(3S,4S)-3-h...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.0800 | 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 13: 2573-6 (2003) Article DOI: 10.1016/s0960-894x(03)00474-8 BindingDB Entry DOI: 10.7270/Q2TD9VJ4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease Mutant Q-60C (Human immunodeficiency virus type 1) | BDBM9143 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(3S,4S)-3-h...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.800 | 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 13: 2569-72 (2003) Article DOI: 10.1016/s0960-894x(03)00475-x BindingDB Entry DOI: 10.7270/Q2PN93V7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease Mutant V-18C (Human immunodeficiency virus type 1) | BDBM9143 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(3S,4S)-3-h...) | MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.30 | 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 13: 2569-72 (2003) Article DOI: 10.1016/s0960-894x(03)00475-x BindingDB Entry DOI: 10.7270/Q2PN93V7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease Mutant K-60C (Human immunodeficiency virus type 1) | BDBM9143 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(3S,4S)-3-h...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.600 | 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 13: 2569-72 (2003) Article DOI: 10.1016/s0960-894x(03)00475-x BindingDB Entry DOI: 10.7270/Q2PN93V7 | |||||||||||
More data for this Ligand-Target Pair |