BDBM35964 E/Z ratio 3:1::cyclic compound, 14a::cyclic compound, 14a-Z
SMILES: [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCC\C=C/CCCCOc2cc(OC)ccc2S1(=O)=O
InChI Key: InChIKey=WWNPFAANLOAHOU-HJGBNPGSSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM35964 (E/Z ratio 3:1 | cyclic compound, 14a | cyclic comp...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.160 | -13.4 | n/a | n/a | >1.00E+3 | n/a | n/a | 6.4 | 25 |
Purdue University | Assay Description The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar... | J Med Chem 52: 7689-705 (2009) Article DOI: 10.1021/jm900695w BindingDB Entry DOI: 10.7270/Q2G44NN7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM35964 (E/Z ratio 3:1 | cyclic compound, 14a | cyclic comp...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.380 | -12.8 | n/a | n/a | 120 | n/a | n/a | 6.4 | 25 |
Purdue University | Assay Description The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar... | J Med Chem 52: 7689-705 (2009) Article DOI: 10.1021/jm900695w BindingDB Entry DOI: 10.7270/Q2G44NN7 | |||||||||||
More data for this Ligand-Target Pair |