ligand
stringlengths 7
13
| protein
stringclasses 7
values | score
float64 -30.2
3.17k
|
|---|---|---|
CHEMBL4248023
|
ankh
| -6.089
|
CHEMBL3233631
|
map3k15
| -7.775
|
CHEMBL3810275
|
cfhr5
| -8.111
|
CHEMBL1797507
|
ankh
| -5.765
|
CHEMBL185788
|
nlrp3
| -8.463
|
CHEMBL4901999
|
slc30a8
| -7.876
|
CHEMBL2252761
|
adcy5
| -7.718
|
CHEMBL52531
|
cfhr5
| -6.329
|
CHEMBL2097938
|
nlrp3
| -9.026
|
CHEMBL229585
|
tyk2
| -6.521
|
CHEMBL5006358
|
map3k15
| -7.066
|
CHEMBL1081280
|
nlrp3
| -8.226
|
CHEMBL381963
|
map3k15
| -8.805
|
CHEMBL4904490
|
nlrp3
| -8.241
|
CHEMBL1530782
|
tyk2
| -6.646
|
CHEMBL1503872
|
tyk2
| -6.465
|
CHEMBL567195
|
adcy5
| -7.837
|
CHEMBL3903635
|
nlrp3
| -9.179
|
CHEMBL416473
|
tyk2
| -5.04
|
CHEMBL2408401
|
slc30a8
| -4.153
|
CHEMBL3459123
|
ankh
| -6.048
|
CHEMBL1610047
|
map3k15
| -6.768
|
CHEMBL4894349
|
map3k15
| -7.138
|
CHEMBL4549995
|
tyk2
| -7.837
|
CHEMBL1574305
|
adcy5
| -8.805
|
CHEMBL4800069
|
map3k15
| -6.488
|
CHEMBL3212782
|
adcy5
| -6.742
|
CHEMBL3486236
|
cfhr5
| -4.755
|
CHEMBL1563977
|
ankh
| -5.823
|
CHEMBL1454375
|
ankh
| -6.099
|
CHEMBL5207011
|
tyk2
| -8.42
|
CHEMBL1499880
|
adcy5
| -8.248
|
CHEMBL4537906
|
ankh
| -5.452
|
CHEMBL1213062
|
nlrp3
| -6.553
|
CHEMBL3642621
|
nlrp3
| -6.933
|
CHEMBL2160097
|
cfhr5
| -7.495
|
CHEMBL4445840
|
ankh
| -6.239
|
CHEMBL119007
|
ankh
| -6.473
|
CHEMBL1597336
|
adcy5
| -6.421
|
CHEMBL226913
|
ankh
| -6.458
|
CHEMBL478878
|
adcy5
| -5.901
|
CHEMBL487746
|
tyk2
| -6.079
|
CHEMBL460074
|
slc30a8
| -7.041
|
CHEMBL5019904
|
nlrp3
| -8.263
|
CHEMBL321087
|
tyk2
| -6.747
|
CHEMBL325096
|
nlrp3
| -5.893
|
CHEMBL4280670
|
nlrp3
| -8.864
|
CHEMBL3925390
|
ankh
| -7.672
|
CHEMBL3554303
|
ankh
| -6.691
|
CHEMBL3126158
|
adcy5
| -6.256
|
CHEMBL3590520
|
adcy5
| -6.878
|
CHEMBL271660
|
nlrp3
| -8.893
|
CHEMBL2096953
|
slc30a8
| -6.381
|
CHEMBL1576539
|
nlrp3
| -8.502
|
CHEMBL1499888
|
nlrp3
| -7.845
|
CHEMBL1347
|
cfhr5
| -5.345
|
CHEMBL1740286
|
nlrp3
| -7.179
|
CHEMBL3934380
|
tyk2
| -9.128
|
CHEMBL4935617
|
ankh
| -6.01
|
CHEMBL2360153
|
tyk2
| -6.967
|
CHEMBL4861879
|
ankh
| -8.36
|
CHEMBL1611145
|
cfhr5
| -6.105
|
CHEMBL4059707
|
ankh
| -6.245
|
CHEMBL3915862
|
tyk2
| -8.549
|
CHEMBL3247849
|
nlrp3
| -6.761
|
CHEMBL5016121
|
ankh
| -5.891
|
CHEMBL5014860
|
tyk2
| -6.796
|
CHEMBL377870
|
map3k15
| -5.592
|
CHEMBL1077716
|
cfhr5
| -6.195
|
CHEMBL2086983
|
adcy5
| -4.432
|
CHEMBL3499786
|
cfhr5
| -7.552
|
CHEMBL2385461
|
adcy5
| -3.991
|
CHEMBL3211141
|
map3k15
| -7.341
|
CHEMBL4128395
|
cfhr5
| -5.536
|
CHEMBL4759926
|
adcy5
| 6.466
|
CHEMBL3899890
|
cfhr5
| -6.646
|
CHEMBL3298214
|
nlrp3
| -9.186
|
CHEMBL4533862
|
ankh
| -5.728
|
CHEMBL3103008
|
cfhr5
| -5.709
|
CHEMBL3793011
|
cfhr5
| -7.925
|
CHEMBL3344003
|
tyk2
| -7.33
|
CHEMBL1213542
|
nlrp3
| -4.691
|
CHEMBL1881768
|
ankh
| -5.745
|
CHEMBL3814884
|
nlrp3
| -8.77
|
CHEMBL1831213
|
slc30a8
| -6.532
|
CHEMBL4109189
|
map3k15
| -6.569
|
CHEMBL1461999
|
map3k15
| -5.924
|
CHEMBL3288003
|
nlrp3
| -9.212
|
CHEMBL4476534
|
adcy5
| -7.982
|
CHEMBL4209241
|
slc30a8
| -5.275
|
CHEMBL4955414
|
map3k15
| -6.939
|
CHEMBL529247
|
adcy5
| -7.821
|
CHEMBL4552436
|
nlrp3
| -5.488
|
CHEMBL1596199
|
nlrp3
| -7.469
|
CHEMBL1469351
|
slc30a8
| -7.28
|
CHEMBL1349087
|
nlrp3
| -7.981
|
CHEMBL3970099
|
adcy5
| -5.766
|
CHEMBL2134897
|
tyk2
| -9.252
|
CHEMBL3775253
|
cfhr5
| -5.174
|
CHEMBL3660802
|
cfhr5
| -5.699
|
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.