null
SMILES: [H][C@@]12CCC[C@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(OC)cc3)[C@]1([H])CCO2
InChI Key: InChIKey=XCFOBEXYUXQCLJ-FOECPVOOSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50483338![]() (CHEMBL1651155) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | 0.00500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease | J Med Chem 54: 622-34 (2011) Article DOI: 10.1021/jm1012787 BindingDB Entry DOI: 10.7270/Q2BV7KG9 | |||||||||||
More data for this Ligand-Target Pair |