ligand
stringlengths 7
13
| protein
stringclasses 7
values | score
float64 -30.2
3.17k
|
|---|---|---|
CHEMBL4083907
|
ankh
| -5.737
|
CHEMBL141450
|
nlrp3
| -8.543
|
CHEMBL3465091
|
tyk2
| -6.058
|
CHEMBL3702077
|
adcy5
| -3.344
|
CHEMBL4075477
|
nlrp3
| -7.614
|
CHEMBL3702210
|
nlrp3
| -9.119
|
CHEMBL1885694
|
ankh
| -5.889
|
CHEMBL595760
|
adcy5
| -2.848
|
CHEMBL1576079
|
adcy5
| -7.475
|
CHEMBL4946033
|
tyk2
| -6.798
|
CHEMBL4785454
|
tyk2
| -8.897
|
CHEMBL9470
|
tyk2
| -7.098
|
CHEMBL4917858
|
ankh
| -6.718
|
CHEMBL189260
|
nlrp3
| -6.352
|
CHEMBL5019445
|
slc30a8
| -6.965
|
CHEMBL2005380
|
nlrp3
| -8.341
|
CHEMBL3758912
|
slc30a8
| -6.302
|
CHEMBL219757
|
tyk2
| -7.727
|
CHEMBL1553125
|
cfhr5
| -5.224
|
CHEMBL1789172
|
tyk2
| -8.673
|
CHEMBL4218032
|
tyk2
| -7.315
|
CHEMBL114656
|
ankh
| -6.248
|
CHEMBL4932247
|
tyk2
| -6.443
|
CHEMBL3897411
|
cfhr5
| -8.556
|
CHEMBL4086782
|
tyk2
| -7.136
|
CHEMBL4968022
|
slc30a8
| -7.036
|
CHEMBL3640925
|
adcy5
| 2.673
|
CHEMBL1946192
|
adcy5
| -5.489
|
CHEMBL51369
|
map3k15
| -3.736
|
CHEMBL4598369
|
tyk2
| -8.968
|
CHEMBL1984008
|
slc30a8
| -5.703
|
CHEMBL1782086
|
nlrp3
| -7.774
|
CHEMBL2078964
|
cfhr5
| -5.257
|
CHEMBL1682522
|
adcy5
| -6.518
|
CHEMBL22958
|
adcy5
| -4.447
|
CHEMBL1323488
|
adcy5
| -9.347
|
CHEMBL4644597
|
adcy5
| -4.499
|
CHEMBL328762
|
nlrp3
| -7.18
|
CHEMBL1510394
|
cfhr5
| -7.27
|
CHEMBL1548083
|
cfhr5
| -8.067
|
CHEMBL183753
|
adcy5
| -8.794
|
CHEMBL426029
|
slc30a8
| -7.182
|
CHEMBL1549079
|
adcy5
| -3.53
|
CHEMBL3139555
|
nlrp3
| -9.503
|
CHEMBL1417908
|
ankh
| -6.361
|
CHEMBL96459
|
map3k15
| -6.783
|
CHEMBL354894
|
tyk2
| -8.393
|
CHEMBL25621
|
nlrp3
| -6.994
|
CHEMBL3704338
|
cfhr5
| -6.979
|
CHEMBL1389084
|
nlrp3
| -8.736
|
CHEMBL495928
|
map3k15
| -8.654
|
CHEMBL1441727
|
cfhr5
| -5.785
|
CHEMBL449115
|
tyk2
| -8.24
|
CHEMBL6896
|
map3k15
| -7.649
|
CHEMBL1209580
|
adcy5
| -4.875
|
CHEMBL1570000
|
ankh
| -7.435
|
CHEMBL2357568
|
ankh
| -6.617
|
CHEMBL373908
|
adcy5
| -7.019
|
CHEMBL3900677
|
map3k15
| -7.832
|
CHEMBL3192281
|
ankh
| -6.698
|
CHEMBL1862853
|
tyk2
| -8.661
|
CHEMBL4127172
|
map3k15
| -7.203
|
CHEMBL3238349
|
tyk2
| -8.543
|
CHEMBL4960978
|
ankh
| -7.83
|
CHEMBL521239
|
cfhr5
| -6.507
|
CHEMBL1368474
|
slc30a8
| -6.739
|
CHEMBL2359339
|
ankh
| -6.819
|
CHEMBL4981630
|
map3k15
| -6.749
|
CHEMBL513531
|
tyk2
| -8.271
|
CHEMBL1938887
|
tyk2
| -7.631
|
CHEMBL3677955
|
map3k15
| -7.854
|
CHEMBL1590455
|
nlrp3
| -8.479
|
CHEMBL1524688
|
cfhr5
| -6.628
|
CHEMBL2432022
|
ankh
| -6.71
|
CHEMBL4994018
|
ankh
| -6.387
|
CHEMBL1652075
|
tyk2
| -12.092
|
CHEMBL4922246
|
cfhr5
| -4.899
|
CHEMBL2374691
|
map3k15
| -7.375
|
CHEMBL2403394
|
ankh
| -4.63
|
CHEMBL413690
|
cfhr5
| -4.252
|
CHEMBL3207716
|
cfhr5
| -6.664
|
CHEMBL3422626
|
adcy5
| -6.476
|
CHEMBL4977635
|
cfhr5
| -6.498
|
CHEMBL1734103
|
adcy5
| -1.171
|
CHEMBL1456179
|
tyk2
| -7.707
|
CHEMBL4455754
|
tyk2
| -8.594
|
CHEMBL3393420
|
tyk2
| -7.021
|
CHEMBL1722858
|
tyk2
| -7.229
|
CHEMBL17548
|
tyk2
| -8.266
|
CHEMBL1516099
|
map3k15
| -9.011
|
CHEMBL3590190
|
nlrp3
| -8.902
|
CHEMBL4438239
|
ankh
| -4.256
|
CHEMBL1497523
|
map3k15
| -7.584
|
CHEMBL4741397
|
tyk2
| -4.817
|
CHEMBL4989375
|
adcy5
| -6.016
|
CHEMBL1417259
|
cfhr5
| -6.032
|
CHEMBL1783880
|
cfhr5
| -8.083
|
CHEMBL1824538
|
slc30a8
| -6.415
|
CHEMBL484010
|
map3k15
| -8.72
|
CHEMBL3557341
|
tyk2
| -5.742
|
Subsets and Splits
Filter SCN10A Protein Data
Retrieves all records from the test dataset where the protein is 'scn10a', providing a basic filter on the data.
Validation Data for SCN10A
Retrieves all records from the validation dataset where the protein is 'scn10a', providing a basic filter but limited analytical value.
Filter SCN10A Protein Data
Retrieves all records from the train dataset where the protein is 'scn10a', providing a basic filter but limited analytical value.