LTJv2 #75 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Etoricoxib
AOFA_HUMAN

Docking Scores:
-9.21 -9.94 -10.14
Similarity Score:
49.26%
Best Match:
CHEMBL3652429

L: Indomethacin
AOFA_HUMAN

Docking Scores:
-9.57 -10.12 -10.14
Similarity Score:
46.01%
Best Match:
CHEMBL155350

L: Fenbufen
AOFA_HUMAN

Docking Scores:
-8.69 -8.78 -10.02
Similarity Score:
44.62%
Best Match:
CHEMBL1070

L: Celecoxib
AOFA_HUMAN

Docking Scores:
-10.37 -10.33 -10.04
Similarity Score:
35.98%
Best Match:
CHEMBL3652429

L: Diclofenac
AOFA_HUMAN

Docking Scores:
-8.04 -8.37 -8.67
Similarity Score:
35.65%
Best Match:
CHEMBL1642672

L: Etoricoxib
AOFB_HUMAN

Docking Scores:
-10.19 -9.50 -9.39
Similarity Score:
42.45%
Best Match:
CHEMBL3398531

L: Indomethacin
AOFB_HUMAN

Docking Scores:
-9.99 -10.20 -10.17
Similarity Score:
42.08%
Best Match:
CHEMBL2333929

L: Fenbufen
AOFB_HUMAN

Docking Scores:
-9.21 -9.71 -9.59
Similarity Score:
44.32%
Best Match:
CHEMBL3288305

L: Celecoxib
AOFB_HUMAN

Docking Scores:
-11.00 -10.04 -10.38
Similarity Score:
30.46%
Best Match:
CHEMBL127774

L: Diclofenac
AOFB_HUMAN

Docking Scores:
-8.49 -8.36 -8.88
Similarity Score:
36.44%
Best Match:
CHEMBL3319243

L: Etoricoxib
BACE1_HUMAN

Docking Scores:
-7.96 -7.89 -8.87
Similarity Score:
41.30%
Best Match:
CHEMBL1923751

L: Indomethacin
BACE1_HUMAN

Docking Scores:
-7.31 -7.70 -9.12
Similarity Score:
42.36%
Best Match:
CHEMBL556087

L: Fenbufen
BACE1_HUMAN

Docking Scores:
-6.67 -7.56 -8.43
Similarity Score:
38.04%
Best Match:
CHEMBL1092504

L: Celecoxib
BACE1_HUMAN

Docking Scores:
-8.13 -8.52 -9.57
Similarity Score:
37.04%
Best Match:
CHEMBL1233882

L: Diclofenac
BACE1_HUMAN

Docking Scores:
-6.69 -6.82 -7.46
Similarity Score:
33.06%
Best Match:
CHEMBL3627961

L: Etoricoxib
CAH2_HUMAN

Docking Scores:
-8.02 -9.08 -7.39
Similarity Score:
50.43%
Best Match:
CHEMBL3763387

L: Indomethacin
CAH2_HUMAN

Docking Scores:
-7.55 -8.64 -8.92
Similarity Score:
49.69%
Best Match:
CHEMBL2335176

L: Fenbufen
CAH2_HUMAN

Docking Scores:
-7.34 -7.20 -7.33
Similarity Score:
47.44%
Best Match:
CHEMBL4068228

L: Celecoxib
CAH2_HUMAN

Docking Scores:
-8.40 -9.01 -9.23
Similarity Score:
100.00%
Best Match:
CHEMBL118

L: Diclofenac
CAH2_HUMAN

Docking Scores:
-7.31 -7.42 -7.15
Similarity Score:
44.58%
Best Match:
CHEMBL23832