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BDBM50094907 4-Cyano-N-{3-[1-(6-hydroxy-4-oxo-2-phenethyl-2-propyl-4H-[1,3]dioxin-5-yl)-propyl]-phenyl}-benzenesulfonamide::CHEMBL89038

SMILES: CCCC1(CCc2ccccc2)OC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3ccc(cc3)C#N)c2)C(=O)O1

InChI Key: InChIKey=ZSVYRKRWFBEXFO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50094907   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50094907
PNG
(4-Cyano-N-{3-[1-(6-hydroxy-4-oxo-2-phenethyl-2-pro...)
Show SMILES CCCC1(CCc2ccccc2)OC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3ccc(cc3)C#N)c2)C(=O)O1
Show InChI InChI=1S/C31H32N2O6S/c1-3-18-31(19-17-22-9-6-5-7-10-22)38-29(34)28(30(35)39-31)27(4-2)24-11-8-12-25(20-24)33-40(36,37)26-15-13-23(21-32)14-16-26/h5-16,20,27-28,33H,3-4,17-19H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Institute of Science & Technology

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity towards HIV protease


Bioorg Med Chem Lett 10: 2625-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00534-5
BindingDB Entry DOI: 10.7270/Q20R9NPF
More data for this
Ligand-Target Pair