BDBM858 1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 23::benzyl N-[(1S)-1-{[(1S,2S)-1-[(13R,16R)-12,15-dioxo-13-(propan-2-yl)-2,5,8-trioxa-11,14,17-triazabicyclo[17.2.2]tricosa-1(21),19,22-trien-16-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamoyl}-2-methylpropyl]carbamate
SMILES: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2ccc(OCCOCCOCCNC(=O)C(NC1=O)C(C)C)cc2
InChI Key: InChIKey=BOMYVDPSYNOFDI-KCVBXHHVSA-N
Data: 2 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) | BDBM858 (1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 23 |...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 6.90 | -11.6 | n/a | n/a | n/a | n/a | n/a | 6.25 | 37 |
Sandoz Research Institute | Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ... | J Med Chem 39: 3291-9 (1996) Article DOI: 10.1021/jm950641i BindingDB Entry DOI: 10.7270/Q2P84935 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-2 Protease (Human immunodeficiency virus type 2) | BDBM858 (1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 23 |...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 27 | -10.7 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Sandoz Research Institute | Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ... | J Med Chem 39: 3291-9 (1996) Article DOI: 10.1021/jm950641i BindingDB Entry DOI: 10.7270/Q2P84935 | |||||||||||
More data for this Ligand-Target Pair |