BDBM50086886 CHEMBL436149::N-[14-Benzyl-18-(3-guanidino-propyl)-11-(4-hydroxy-benzyl)-4,8,13,16,17,20-hexaoxo-1,2,3,5,6,7,8,11,12,13,14,15,16,17,18,19,20,20a-octadecahydro-4H-3a,7,12,15,19-pentaaza-cyclopentacyclononadecen-5-yl]-formamide
SMILES: NC(=N)NCCC[C@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CNC(=O)\C=C\C(Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C1=O)NC=O
InChI Key: InChIKey=CDWXSPKJKIUEQF-BODGWVRKSA-N
Data: 1 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) | BDBM50086886 (CHEMBL436149 | N-[14-Benzyl-18-(3-guanidino-propyl...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland Curated by ChEMBL | Assay Description binding affinity towards HIV-1 Protease enzyme | J Med Chem 43: 1271-81 (2001) BindingDB Entry DOI: 10.7270/Q23779F5 | |||||||||||
More data for this Ligand-Target Pair |