BDBM50091594 2-{3-tert-Butylcarbamoyl-4-[2-hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-piperazin-1-ylmethyl}-furo[2,3-b]pyridine-5-carboxylic acid ethyl ester::CHEMBL432633
SMILES: CCOC(=O)c1cnc2oc(CN3CCN(CC(O)CC(Cc4ccccc4)C(=O)NC4C(O)Cc5ccccc45)C(C3)C(=O)NC(C)(C)C)cc2c1
InChI Key: InChIKey=CXDXPJIIEKARJN-UHFFFAOYSA-N
Data: 1 IC50
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) | BDBM50091594 (2-{3-tert-Butylcarbamoyl-4-[2-hydroxy-4-(2-hydroxy...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Concentration required for 50% inhibition of Protease | J Med Chem 43: 3386-99 (2000) BindingDB Entry DOI: 10.7270/Q23J3DP4 | |||||||||||
More data for this Ligand-Target Pair |