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BDBM50287003 4-[4-Hydroxy-5-(2-isopropyl-phenylsulfanyl)-6-oxo-6H-pyran-2-yl]-benzamide::CHEMBL273732

SMILES: CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1ccc(cc1)C(N)=O

InChI Key: InChIKey=WHOCZLROXUVOJV-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50287003   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50287003
PNG
(4-[4-Hydroxy-5-(2-isopropyl-phenylsulfanyl)-6-oxo-...)
Show SMILES CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C21H19NO4S/c1-12(2)15-5-3-4-6-18(15)27-19-16(23)11-17(26-21(19)25)13-7-9-14(10-8-13)20(22)24/h3-12,23H,1-2H3,(H2,22,24)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 135n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM


Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair