ligand
stringlengths 7
13
| protein
stringclasses 7
values | score
float64 -30.2
3.17k
|
|---|---|---|
CHEMBL2112940
|
slc30a8
| -5.344
|
CHEMBL78848
|
adcy5
| -8.19
|
CHEMBL4087772
|
adcy5
| -2.492
|
CHEMBL3211798
|
nlrp3
| -8.043
|
CHEMBL1374271
|
ankh
| -4.364
|
CHEMBL2008816
|
ankh
| -3.916
|
CHEMBL563478
|
adcy5
| -8.42
|
CHEMBL3676883
|
ankh
| -8.214
|
CHEMBL3484551
|
map3k15
| -6.072
|
CHEMBL4944621
|
ankh
| -5.205
|
CHEMBL3926934
|
cfhr5
| -7.199
|
CHEMBL323922
|
slc30a8
| -4.053
|
CHEMBL1186619
|
cfhr5
| -6.593
|
CHEMBL1889227
|
slc30a8
| -7.984
|
CHEMBL2303771
|
adcy5
| -7.579
|
CHEMBL345625
|
slc30a8
| -6.036
|
CHEMBL285457
|
slc30a8
| -5.291
|
CHEMBL395108
|
tyk2
| -5.649
|
CHEMBL436853
|
tyk2
| -7.958
|
CHEMBL4080647
|
cfhr5
| -5.199
|
CHEMBL3930478
|
cfhr5
| -6.878
|
CHEMBL1526694
|
slc30a8
| -6.878
|
CHEMBL1331049
|
ankh
| -5.62
|
CHEMBL1584474
|
map3k15
| -7.442
|
CHEMBL3693469
|
adcy5
| 5.876
|
CHEMBL51163
|
nlrp3
| -9.54
|
CHEMBL3305060
|
nlrp3
| -6.591
|
CHEMBL4964382
|
cfhr5
| -7.45
|
CHEMBL4450074
|
nlrp3
| -9.665
|
CHEMBL1440725
|
map3k15
| -7.861
|
CHEMBL4932534
|
map3k15
| -7.215
|
CHEMBL3193067
|
slc30a8
| -6.802
|
CHEMBL2338224
|
slc30a8
| -6.634
|
CHEMBL4802048
|
nlrp3
| -7.809
|
CHEMBL4896635
|
slc30a8
| -7.322
|
CHEMBL2448429
|
map3k15
| -6.302
|
CHEMBL1669681
|
slc30a8
| -6.614
|
CHEMBL4564478
|
slc30a8
| -8.465
|
CHEMBL4098523
|
adcy5
| -6.78
|
CHEMBL3264205
|
cfhr5
| -8.573
|
CHEMBL4997336
|
adcy5
| 15.295
|
CHEMBL70055
|
slc30a8
| -6.67
|
CHEMBL473233
|
slc30a8
| -6.156
|
CHEMBL1590595
|
nlrp3
| -8.969
|
CHEMBL366714
|
cfhr5
| -8.42
|
CHEMBL1374749
|
map3k15
| -8.172
|
CHEMBL232023
|
slc30a8
| -6.515
|
CHEMBL1950296
|
slc30a8
| -8.358
|
CHEMBL1332535
|
map3k15
| -5.93
|
CHEMBL4536181
|
cfhr5
| -7.069
|
CHEMBL3265240
|
ankh
| -6.145
|
CHEMBL2172765
|
adcy5
| 2.016
|
CHEMBL7455
|
nlrp3
| -7.707
|
CHEMBL1480808
|
adcy5
| -6.971
|
CHEMBL494649
|
ankh
| -4.945
|
CHEMBL3945761
|
tyk2
| -9.822
|
CHEMBL3936245
|
slc30a8
| -7.529
|
CHEMBL4562431
|
adcy5
| -7.818
|
CHEMBL4955892
|
map3k15
| -6.989
|
CHEMBL4168020
|
ankh
| -7.036
|
CHEMBL2172801
|
cfhr5
| -5.875
|
CHEMBL301763
|
tyk2
| -4.441
|
CHEMBL1369084
|
slc30a8
| -7.455
|
CHEMBL1310013
|
ankh
| -6.587
|
CHEMBL3653889
|
map3k15
| -7.562
|
CHEMBL1315684
|
map3k15
| -8.857
|
CHEMBL1378844
|
adcy5
| -6.756
|
CHEMBL2048102
|
adcy5
| -7.038
|
CHEMBL5012201
|
ankh
| -5.192
|
CHEMBL4980387
|
cfhr5
| -7.497
|
CHEMBL348282
|
tyk2
| -6.683
|
CHEMBL202832
|
cfhr5
| -5.923
|
CHEMBL357702
|
adcy5
| -6.85
|
CHEMBL3482990
|
slc30a8
| -5.901
|
CHEMBL4894009
|
nlrp3
| -6.926
|
CHEMBL3464234
|
nlrp3
| -8.265
|
CHEMBL4900411
|
adcy5
| -6.852
|
CHEMBL1624833
|
cfhr5
| -6.925
|
CHEMBL606379
|
tyk2
| -6.398
|
CHEMBL1530575
|
cfhr5
| -5.823
|
CHEMBL3686773
|
cfhr5
| -7.823
|
CHEMBL4935968
|
tyk2
| -7.389
|
CHEMBL5219409
|
adcy5
| -3.088
|
CHEMBL4569589
|
slc30a8
| -5.321
|
CHEMBL4923968
|
tyk2
| -6.991
|
CHEMBL5186027
|
slc30a8
| -8.072
|
CHEMBL31151
|
ankh
| -4.972
|
CHEMBL3910750
|
map3k15
| -8.166
|
CHEMBL3109952
|
adcy5
| -5.861
|
CHEMBL3494347
|
slc30a8
| -6.638
|
CHEMBL3639688
|
cfhr5
| -8.346
|
CHEMBL3594472
|
map3k15
| -5.88
|
CHEMBL175009
|
map3k15
| -7.958
|
CHEMBL5024266
|
cfhr5
| -5.697
|
CHEMBL4074363
|
ankh
| -6.534
|
CHEMBL3695501
|
adcy5
| -3.309
|
CHEMBL4448756
|
tyk2
| -9.509
|
CHEMBL523648
|
ankh
| -6.712
|
CHEMBL1401558
|
adcy5
| -6.858
|
CHEMBL4898413
|
cfhr5
| -6.221
|
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.