BDBM9121 (2S)-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]carbamoyl}-4-(pyridin-3-ylmethyl)butyl]-4-[(5-phenylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide::furanyl analog 2
SMILES: O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccc(o2)-c2ccccc2)C[C@H]1C(=O)NCC(F)(F)F
InChI Key: InChIKey=VCNRITFCECGWNQ-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) | BDBM9121 ((2S)-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.0200 | 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: 4027-30 (2003) Article DOI: 10.1016/j.bmcl.2003.08.049 BindingDB Entry DOI: 10.7270/Q2Z60M7Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease Mutant Q-60C (Human immunodeficiency virus type 1) | BDBM9121 ((2S)-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a |
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: 4027-30 (2003) Article DOI: 10.1016/j.bmcl.2003.08.049 BindingDB Entry DOI: 10.7270/Q2Z60M7Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease Mutant V-18C (Human immunodeficiency virus type 1) | BDBM9121 ((2S)-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,...) | MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
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: 4027-30 (2003) Article DOI: 10.1016/j.bmcl.2003.08.049 BindingDB Entry DOI: 10.7270/Q2Z60M7Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease Mutant K-60C (Human immunodeficiency virus type 1) | BDBM9121 ((2S)-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
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: 4027-30 (2003) Article DOI: 10.1016/j.bmcl.2003.08.049 BindingDB Entry DOI: 10.7270/Q2Z60M7Z | |||||||||||
More data for this Ligand-Target Pair |