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BDBM9829 3-[(5S)-5-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-6-hydroxyhexyl]-1-(2H-1,3-benzodioxol-5-ylmethyl)-1-{[4-(trifluoromethyl)phenyl]methyl}urea::Lysine Sulfonamide 15m

SMILES: CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccc(cc1)C(F)(F)F)Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(N)cc1

InChI Key: InChIKey=RDJMIENHFLFNJX-NDEPHWFRSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9829   
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
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM9829
PNG
(3-[(5S)-5-[(4-aminobenzene)(2-methylpropyl)sulfona...)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccc(cc1)C(F)(F)F)Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C33H41F3N4O6S/c1-23(2)18-40(47(43,44)29-13-11-27(37)12-14-29)28(21-41)5-3-4-16-38-32(42)39(19-24-6-9-26(10-7-24)33(34,35)36)20-25-8-15-30-31(17-25)46-22-45-30/h6-15,17,23,28,41H,3-5,16,18-22,37H2,1-2H3,(H,38,42)/t28-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Procyon Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-Ser-Gln-Asn-Tyr-Pr...


Bioorg Med Chem Lett 14: 3971-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.049
BindingDB Entry DOI: 10.7270/Q22V2DB2
More data for this
Ligand-Target Pair