BDBM50200943 CHEMBL269769::cyclopentyl (2S,3S)-3-[4-([4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl)-5-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-1,4-diphenylbutan-2-ylcarbamate
SMILES: Cc1ccc(Cl)cc1N1CCN(Cc2nnn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)OC3CCCC3)c2CO)CC1
InChI Key: InChIKey=YMEKXPCNYWVNEK-SHUZPENHSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50200943 (CHEMBL269769 | cyclopentyl (2S,3S)-3-[4-([4-(5-chl...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease after 48 hrs by micro-titer plate assay | J Med Chem 59: 2849-78 (2016) BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM50200943 (CHEMBL269769 | cyclopentyl (2S,3S)-3-[4-([4-(5-chl...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Inhibition of HIV1 protease | J Med Chem 49: 7697-710 (2006) Article DOI: 10.1021/jm060754+ BindingDB Entry DOI: 10.7270/Q2TH8MB6 | |||||||||||
More data for this Ligand-Target Pair |