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BDBM50053913 3-(2,2-Dimethyl-1-phenyl-propyl)-4-hydroxy-4a,5,6,7,8,9,10,10a-octahydro-cycloocta[b]pyran-2-one::CHEMBL133951

SMILES: CC(C)(C)C(C1C(=O)OC2CCCCCCC2C1=O)c1ccccc1

InChI Key: InChIKey=LJCFYBJNJHFGQX-UHFFFAOYNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50053913   
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)
BDBM50053913
PNG
(3-(2,2-Dimethyl-1-phenyl-propyl)-4-hydroxy-4a,5,6,...)
Show SMILES CC(C)(C)C(C1C(=O)OC2CCCCCCC2C1=O)c1ccccc1
Show InChI InChI=1/C22H30O3/c1-22(2,3)19(15-11-7-6-8-12-15)18-20(23)16-13-9-4-5-10-14-17(16)25-21(18)24/h6-8,11-12,16-19H,4-5,9-10,13-14H2,1-3H3
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PC cid
PC sid
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Similars

Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards HIV protease was determined


J Med Chem 39: 4125-30 (1996)


Article DOI: 10.1021/jm960296c
BindingDB Entry DOI: 10.7270/Q2KH0MFB
More data for this
Ligand-Target Pair