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BDBM50291057 4-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)-methyl]-phenylmethanesulfonyl}-benzonitrile::CHEMBL131128

SMILES: Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(CS(=O)(=O)c2ccc(cc2)C#N)c1

InChI Key: InChIKey=SBKIEJFHYVAIJT-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50291057   
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)
BDBM50291057
PNG
(4-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-he...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(CS(=O)(=O)c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C29H29NO5S/c30-17-19-10-14-23(15-11-19)36(33,34)18-20-6-5-7-22(16-20)26(21-12-13-21)27-28(31)24-8-3-1-2-4-9-25(24)35-29(27)32/h5-7,10-11,14-16,21,26,31H,1-4,8-9,12-13,18H2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
1.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease.


Bioorg Med Chem Lett 7: 399-402 (1997)


Article DOI: 10.1016/S0960-894X(97)00031-0
BindingDB Entry DOI: 10.7270/Q21R6QH6
More data for this
Ligand-Target Pair