BDBM13722 (2S)-3-[(3S)-3-benzyl-5-oxomorpholin-4-yl]-N-(cyclopentylmethyl)-2-hydroxy-N-(4-methoxyphenyl)propane-1-sulfonamido::CHEMBL120684::morpholinone-based inhibitor 1
SMILES: COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)COCC1=O)CC1CCCC1
InChI Key: InChIKey=IOCNYGPHBFUDJN-BJKOFHAPSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM13722 ((2S)-3-[(3S)-3-benzyl-5-oxomorpholin-4-yl]-N-(cycl...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc Curated by ChEMBL | Assay Description Compound was assayed for inhibition against HIV protease activity | Bioorg Med Chem Lett 8: 3637-42 (1999) BindingDB Entry DOI: 10.7270/Q2GM86FH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM13722 ((2S)-3-[(3S)-3-benzyl-5-oxomorpholin-4-yl]-N-(cycl...) | PDB MMDB B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.00E+3 | -8.18 | n/a | n/a | n/a | n/a | n/a | 6.4 | 25 |
GlaxoSmithKline | Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f... | Bioorg Med Chem Lett 16: 5226-30 (2006) Article DOI: 10.1016/j.bmcl.2006.07.014 BindingDB Entry DOI: 10.7270/Q24Q7S7D | |||||||||||
More data for this Ligand-Target Pair |