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BDBM518 (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-(phenylsulfanyl)butyl]-decahydroisoquinoline-3-carboxamide::AG-1343::CHEMBL584::Nelfinavir::Viracept

SMILES: Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C

InChI Key: InChIKey=QAGYKUNXZHXKMR-UHFFFAOYSA-N

Data: 28 KI  18 ITC

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 518   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
0.0100 -15.0n/an/an/an/an/a6.425


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,A572V]


(Human immunodeficiency virus type 1)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
0.220 -13.7n/an/an/an/an/a4.737


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K]


(Human immunodeficiency virus type 1)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
0.254 -13.1n/an/an/an/an/a5.025


TBA



Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
0.530n/an/an/an/an/an/a5.5n/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,M537I,A572V]


(Human immunodeficiency virus type 1)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
0.630 -13.0n/an/an/an/an/a4.737


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,M537I]


(Human immunodeficiency virus type 1)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
0.900 -12.8n/an/an/an/an/a4.737


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
1.20 -12.7n/an/an/an/an/a4.737


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
1.20 -12.7n/an/an/an/an/a4.737


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,V583F]


(Human immunodeficiency virus type 1)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
1.20 -12.7n/an/an/an/an/a4.737


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
1.20 -12.7n/an/an/an/an/a4.737


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K,I573V]


(Human immunodeficiency virus type 1)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
1.90 -11.9n/an/an/an/an/a5.025


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [482-580,I502K,I528M,T553A]


(Human immunodeficiency virus type 1)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
2 -12.3n/an/an/an/an/a4.737


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [482-580,I502K,I528M,T553A,V564F]


(Human immunodeficiency virus type 1)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
3.70n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,D531N,M537I]


(Human immunodeficiency virus type 1)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
6 -11.7n/an/an/an/an/a4.737


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,D531N,A572V]


(Human immunodeficiency virus type 1)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
6.10 -11.6n/an/an/an/an/a4.737


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,D531N]


(Human immunodeficiency virus type 1)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
6.80 -11.6n/an/an/an/an/a4.737


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,L552P,A560V,V571A,L579M]


(Human immunodeficiency virus type 1)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
17 -11.0n/an/an/an/an/a4.737


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [490-588,L523I,E525D,M526I,I544V,L553H,H559K,L579M]


(Human immunodeficiency virus type 1)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
17n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,I543V,L552P,A560V,V571A,L579M]


(Human immunodeficiency virus type 1)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
23 -10.8n/an/an/an/an/a4.737


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,L552P,A560V,V571A,I573V,L579M]


(Human immunodeficiency virus type 1)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
24n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,D531N,M537I,A572V]


(Human immunodeficiency virus type 1)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
26 -10.8n/an/an/an/an/a4.737


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,M535I,L552P,A560V,V571A,I573V,L579M]


(Human immunodeficiency virus type 1)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
52n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,M535I,L552P,A560V,V571A,L579M]


(Human immunodeficiency virus type 1)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
116 -9.84n/an/an/an/an/a4.737


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [490-588,L523I,E525D,M526I,I544V,L553H,H559K,V572F,L579M]


(Human immunodeficiency virus type 1)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
146n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,M525I,S526D,M535I,R546K,L552P,A560V,G562S,L579M,I582L]


(Human immunodeficiency virus type 1)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
445 -8.66n/an/an/an/an/a5.025


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,M535I,I543V,L552P,A560V,V571A,I573V,L579M]


(Human immunodeficiency virus type 1)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
563n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,M525I,S526D,M535I,R546K,L552P,A560V,G562S,I573V,L579M,I582L]


(Human immunodeficiency virus type 1)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
722 -8.37n/an/an/an/an/a5.025


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,I543V,L552P,A560V,V571A,I573V,L579M]


(Human immunodeficiency virus type 1)
BDBM518
PNG
(Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...)
GoogleScholar
UniChem
1.26E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair