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BDBM421 CHEMBL169849::Dihydropyran-2-one deriv. 26::N-(5-tert-butyl-4-{[4-hydroxy-2-oxo-6-(2-phenylethyl)-6-(propan-2-yl)-5,6-dihydro-2H-pyran-3-yl]sulfanyl}-2-methylphenyl)methanesulfonamide

SMILES: CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(NS(C)(=O)=O)cc2C(C)(C)C)C(=O)O1

InChI Key: InChIKey=SUWZEBHPOHCUJK-UHFFFAOYNA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 421   
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)
BDBM421
PNG
(CHEMBL169849 | Dihydropyran-2-one deriv. 26 | N-(5...)
Show SMILES CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(NS(C)(=O)=O)cc2C(C)(C)C)C(=O)O1
Show InChI InChI=1/C28H37NO5S2/c1-18(2)28(14-13-20-11-9-8-10-12-20)17-23(30)25(26(31)34-28)35-24-15-19(3)22(29-36(7,32)33)16-21(24)27(4,5)6/h8-12,15-16,18,25,29H,13-14,17H2,1-7H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.830n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for binding affinity against HIV protease


J Med Chem 43: 843-58 (2000)


Article DOI: 10.1021/jm990281p
BindingDB Entry DOI: 10.7270/Q2R49S0R
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM421
PNG
(CHEMBL169849 | Dihydropyran-2-one deriv. 26 | N-(5...)
Show SMILES CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(NS(C)(=O)=O)cc2C(C)(C)C)C(=O)O1
Show InChI InChI=1/C28H37NO5S2/c1-18(2)28(14-13-20-11-9-8-10-12-20)17-23(30)25(26(31)34-28)35-24-15-19(3)22(29-36(7,32)33)16-21(24)27(4,5)6/h8-12,15-16,18,25,29H,13-14,17H2,1-7H3
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.830 -12.9n/an/an/an/an/a6.237



Parke-Davis Pharmaceutical Research



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...


J Med Chem 43: 843-58 (2000)


Article DOI: 10.1021/jm990281p
BindingDB Entry DOI: 10.7270/Q21N7Z9R
More data for this
Ligand-Target Pair