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BDBM519 (2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinolin-2-ylformamido)butanediamide::CHEMBL114::Fortovase::Invirase::Ro 31-8959::SQV::Saquinavir

SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1

InChI Key: InChIKey=QWAXKHKRTORLEM-UHFFFAOYSA-N

Data: 35 KI  33 IC50  2 Kd  1 Koff  1 Kon  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 70 hits for monomerid = 519   
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
ATP-dependent translocase ABCB1


(Human)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 1.20E+4n/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 45n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 9.92E+3n/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 30n/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 0.200n/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 1n/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 1.80n/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 1.70n/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 270n/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a<0.400n/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a<0.400n/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/an/an/an/a 0.000227n/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Human)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 1.60E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Mouse)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 11.2n/an/an/an/an/a37


TBA



Citation and Details
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Mouse)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Human)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 1.50E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Human)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 1.20E+4n/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/an/a 0.310n/an/an/an/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 0.400n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Human)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(malaria parasite P. falciparum)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 1.30E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(malaria parasite P. falciparum)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 1.30E+4n/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 0.400n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Human)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 1.95E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Human)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 6.50E+3n/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 0.230n/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 1n/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 8.40n/an/an/an/a5.537


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 11n/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 0.230n/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 0.340n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Gag polyprotein


(HIV-1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 13.1n/an/an/an/a6.5n/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 0.230n/an/an/an/a5.530


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
n/an/a 16n/an/an/an/a6.425


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
0.0400 -14.2n/an/an/an/an/a6.425


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
0.0620n/an/an/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
0.0700n/an/an/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
0.120n/an/an/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
0.120n/an/an/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
0.120n/an/an/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
0.150n/an/an/an/an/an/a5.5n/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
0.190n/an/an/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
0.230n/an/a 0.315n/an/a 8.17E+5n/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
0.230n/an/an/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
0.25n/an/an/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
0.25n/an/an/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
0.25n/an/an/an/an/an/an/an/a


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)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
0.430n/an/an/an/an/an/an/an/a


TBA



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


(Human immunodeficiency virus type 1)
BDBM519
PNG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
UniChem
0.452n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 70 total )  |  Next  |  Last  >>

Activity Spreadsheet -- ITC Data from BindingDB

Found 18 hits for monomerid = 519
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
HIV-1 Protease

(Human immunodeficiency virus type 1)
BDBM519
JPEG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
-11.8-14.02.20n/a525


TBA



Details of this binding reaction

HIV-1 Protease Mutant (V82F/I84V)

(Human immunodeficiency virus type 1)
BDBM519
JPEG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
-10.4-13.93.49n/a525


TBA



Details of this binding reaction

HIV-1 Protease

(Human immunodeficiency virus type 1)
BDBM519
JPEG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
-13.0-14.21.209.56525


TBA



Details of this binding reaction

HIV-1 Protease Mutant, MDR-HM

(Human immunodeficiency virus type 1)
BDBM519
JPEG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
-8.49-18.910.46.26525


TBA



Details of this binding reaction

HIV-1 Protease Mutant, MDR-QM

(Human immunodeficiency virus type 1)
BDBM519
JPEG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
-9.98-18.58.497.36525


TBA



Details of this binding reaction

HIV-1 Protease Mutant (V82A/I84V)

(Human immunodeficiency virus type 1)
BDBM519
JPEG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
-11.8-15.53.698.66525


TBA



Details of this binding reaction

HIV-1 Protease Mutant (M46I/I54V)

(Human immunodeficiency virus type 1)
BDBM519
JPEG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
-11.9-17.05.098.71525


TBA



Details of this binding reaction

HIV-1 Protease Mutant (L10I/L90M)

(Human immunodeficiency virus type 1)
BDBM519
JPEG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
-12.0-15.63.598.77525


TBA



Details of this binding reaction

HIV-1 Protease B Subtype

(Human immunodeficiency virus type 1)
BDBM519
JPEG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
-12.8-14.71.909.40525


TBA



Details of this binding reaction

HIV-1 Protease C Subtype

(Human immunodeficiency virus type 1)
BDBM519
JPEG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
-12.4-14.52.109.11525


TBA



Details of this binding reaction

HIV-1 Protease A Subtype

(Human immunodeficiency virus type 1)
BDBM519
JPEG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
-12.2-14.42.208.95525


TBA



Details of this binding reaction

HIV-1 Protease B Subtype Mutant (V82F/I84V)

(Human immunodeficiency virus type 1)
BDBM519
JPEG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
-11.0-14.33.298.08525


TBA



Details of this binding reaction

HIV-1 Protease C Subtype Mutant (V82F/I84V)

(Human immunodeficiency virus type 1)
BDBM519
JPEG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
-10.6-13.63.007.79525


TBA



Details of this binding reaction

HIV-1 Protease A Subtype Mutant (V82F/I84V)

(Human immunodeficiency virus type 1)
BDBM519
JPEG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
-10.4-13.32.907.62525


TBA



Details of this binding reaction

HIV-1 Protease Mutant, ANAM-11

(Human immunodeficiency virus type 1)
BDBM519
JPEG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
-7.67-17.39.585.63525


TBA



Details of this binding reaction

HIV-1 Protease Mutant, A-1

(Human immunodeficiency virus type 1)
BDBM519
JPEG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
-12.0-18.05.998.80525


TBA



Details of this binding reaction

HIV-1 Protease Mutant, NAM-10

(Human immunodeficiency virus type 1)
BDBM519
JPEG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
-8.69-15.16.396.38525


TBA



Details of this binding reaction

HIV-1 Protease

(Human immunodeficiency virus type 1)
BDBM519
JPEG
(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
GoogleScholar
-12.8-14.71.909.40525


TBA



Details of this binding reaction