molecule_chembl_id
stringlengths 7
13
| target_chembl_id
stringlengths 9
13
| standard_relation
stringclasses 8
values | standard_value
float64 -700,000,000
399,999,999,999,999,930,000B
⌀ | standard_units
stringlengths 1
60
⌀ | standard_flag
int64 0
1
| standard_type
stringlengths 1
61
⌀ | assay_type
stringclasses 6
values | relationship_type
stringclasses 6
values | confidence_score
int64 0
9
|
|---|---|---|---|---|---|---|---|---|---|
CHEMBL5219234 | CHEMBL612545 | null | null | % | 0 | Inhibition | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | % | 0 | Inhibition | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | % | 0 | Inhibition | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | % | 0 | Inhibition | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | % | 0 | Inhibition | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | % | 0 | Inhibition | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | % | 0 | Inhibition | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | % | 0 | Inhibition | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | % | 0 | Inhibition | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | null | 0 | Activity | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | null | 0 | Activity | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | null | 0 | Activity | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | null | 0 | Activity | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | null | 0 | Activity | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | null | 0 | Activity | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | null | 0 | Activity | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | null | 0 | Activity | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | null | 0 | Activity | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | null | 0 | Activity | F | U | 0 |
CHEMBL5219234 | CHEMBL395 | null | null | null | 0 | Activity | F | N | 1 |
CHEMBL5219234 | CHEMBL395 | null | null | null | 0 | Activity | F | N | 1 |
CHEMBL5219234 | CHEMBL395 | null | null | null | 0 | Activity | F | N | 1 |
CHEMBL5219234 | CHEMBL395 | null | null | null | 0 | Activity | F | N | 1 |
CHEMBL5219234 | CHEMBL612545 | null | null | null | 0 | Activity | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | null | 0 | Activity | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | null | 0 | Activity | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | null | 0 | Activity | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | null | 0 | Activity | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | null | 0 | Activity | F | U | 0 |
CHEMBL5220608 | CHEMBL335 | = | 11,260 | nM | 1 | IC50 | B | D | 9 |
CHEMBL5220139 | CHEMBL335 | = | 9,040 | nM | 1 | IC50 | B | D | 9 |
CHEMBL5219015 | CHEMBL335 | = | 7,280 | nM | 1 | IC50 | B | D | 9 |
CHEMBL5220392 | CHEMBL335 | = | 1,050 | nM | 1 | IC50 | B | D | 9 |
CHEMBL5219421 | CHEMBL335 | = | 3,520 | nM | 1 | IC50 | B | D | 9 |
CHEMBL5219988 | CHEMBL335 | = | 7,520 | nM | 1 | IC50 | B | D | 9 |
CHEMBL5220593 | CHEMBL335 | = | 3,860 | nM | 1 | IC50 | B | D | 9 |
CHEMBL5219224 | CHEMBL335 | = | 1,560 | nM | 1 | IC50 | B | D | 9 |
CHEMBL5219028 | CHEMBL335 | = | 3,050 | nM | 1 | IC50 | B | D | 9 |
CHEMBL5220958 | CHEMBL335 | = | 13,740 | nM | 1 | IC50 | B | D | 9 |
CHEMBL5220938 | CHEMBL335 | = | 10,810 | nM | 1 | IC50 | B | D | 9 |
CHEMBL179166 | CHEMBL335 | = | 2,940 | nM | 1 | IC50 | B | D | 9 |
CHEMBL5220608 | CHEMBL3807 | > | 100,000 | nM | 1 | IC50 | B | D | 9 |
CHEMBL5219015 | CHEMBL3807 | > | 100,000 | nM | 1 | IC50 | B | D | 9 |
CHEMBL5220392 | CHEMBL3807 | = | 78,000 | nM | 1 | IC50 | B | D | 9 |
CHEMBL5220593 | CHEMBL3807 | > | 100,000 | nM | 1 | IC50 | B | D | 9 |
CHEMBL5219224 | CHEMBL3807 | > | 100,000 | nM | 1 | IC50 | B | D | 9 |
CHEMBL179166 | CHEMBL3807 | = | 1,960 | nM | 1 | IC50 | B | D | 9 |
CHEMBL5220608 | CHEMBL612545 | = | 8.9 | null | 0 | Ratio IC50 | B | U | 0 |
CHEMBL5219015 | CHEMBL612545 | = | 13.7 | null | 0 | Ratio IC50 | B | U | 0 |
CHEMBL5220392 | CHEMBL612545 | = | 74.3 | null | 0 | Ratio IC50 | B | U | 0 |
CHEMBL5220593 | CHEMBL612545 | = | 25.9 | null | 0 | Ratio IC50 | B | U | 0 |
CHEMBL5219224 | CHEMBL612545 | = | 64.1 | null | 0 | Ratio IC50 | B | U | 0 |
CHEMBL179166 | CHEMBL612545 | = | 0.67 | null | 0 | Ratio IC50 | B | U | 0 |
CHEMBL5220608 | CHEMBL3807 | < | 20 | % | 1 | Inhibition | B | D | 9 |
CHEMBL5219015 | CHEMBL3807 | = | 40 | % | 1 | Inhibition | B | D | 9 |
CHEMBL5220593 | CHEMBL3807 | < | 20 | % | 1 | Inhibition | B | D | 9 |
CHEMBL5219224 | CHEMBL3807 | < | 20 | % | 1 | Inhibition | B | D | 9 |
CHEMBL5220392 | CHEMBL335 | null | null | % | 0 | Inhibition | B | D | 9 |
CHEMBL5220593 | CHEMBL335 | null | null | % | 0 | Inhibition | B | D | 9 |
CHEMBL5220392 | CHEMBL335 | = | 1,210 | nM | 1 | Ki | B | D | 9 |
CHEMBL5220593 | CHEMBL335 | = | 3,020 | nM | 1 | Ki | B | D | 9 |
CHEMBL5220392 | CHEMBL335 | = | 2 | null | 0 | Ratio IC50 | B | D | 9 |
CHEMBL3317744 | CHEMBL612545 | = | 61.73 | % | 0 | Activity | F | U | 0 |
CHEMBL1171981 | CHEMBL612545 | = | 57.93 | % | 0 | Activity | F | U | 0 |
CHEMBL5219290 | CHEMBL612545 | = | 93.71 | % | 0 | Activity | F | U | 0 |
CHEMBL5219178 | CHEMBL612545 | = | 84.54 | % | 0 | Activity | F | U | 0 |
CHEMBL5219862 | CHEMBL612545 | = | 90.27 | % | 0 | Activity | F | U | 0 |
CHEMBL5219042 | CHEMBL612545 | < | 20 | % | 0 | Activity | F | U | 0 |
CHEMBL512759 | CHEMBL612545 | < | 20 | % | 0 | Activity | F | U | 0 |
CHEMBL504997 | CHEMBL612545 | < | 20 | % | 0 | Activity | F | U | 0 |
CHEMBL3120496 | CHEMBL612545 | < | 20 | % | 0 | Activity | F | U | 0 |
CHEMBL444160 | CHEMBL612545 | < | 20 | % | 0 | Activity | F | U | 0 |
CHEMBL156897 | CHEMBL612545 | < | 20 | % | 0 | Activity | F | U | 0 |
CHEMBL504978 | CHEMBL612545 | < | 20 | % | 0 | Activity | F | U | 0 |
CHEMBL186141 | CHEMBL612545 | = | 60.4 | % | 0 | Activity | F | U | 0 |
CHEMBL4065616 | CHEMBL612545 | = | 92.45 | % | 0 | Activity | F | U | 0 |
CHEMBL3317744 | CHEMBL613510 | = | 100.88 | % | 0 | Activity | T | N | 1 |
CHEMBL1171981 | CHEMBL613510 | = | 72.16 | % | 0 | Activity | T | N | 1 |
CHEMBL5219290 | CHEMBL613510 | = | 70.13 | % | 0 | Activity | T | N | 1 |
CHEMBL5219178 | CHEMBL613510 | = | 56.66 | % | 0 | Activity | T | N | 1 |
CHEMBL5219862 | CHEMBL613510 | = | 71.14 | % | 0 | Activity | T | N | 1 |
CHEMBL5219042 | CHEMBL613510 | = | 108.23 | % | 0 | Activity | T | N | 1 |
CHEMBL512759 | CHEMBL613510 | = | 108.05 | % | 0 | Activity | T | N | 1 |
CHEMBL504997 | CHEMBL613510 | = | 108.23 | % | 0 | Activity | T | N | 1 |
CHEMBL3120496 | CHEMBL613510 | = | 53.28 | % | 0 | Activity | T | N | 1 |
CHEMBL444160 | CHEMBL613510 | = | 49.3 | % | 0 | Activity | T | N | 1 |
CHEMBL156897 | CHEMBL613510 | = | 55.55 | % | 0 | Activity | T | N | 1 |
CHEMBL504978 | CHEMBL613510 | = | 33.49 | % | 0 | Activity | T | N | 1 |
CHEMBL186141 | CHEMBL613510 | = | 93.47 | % | 0 | Activity | T | N | 1 |
CHEMBL4065616 | CHEMBL613510 | = | 96.21 | % | 0 | Activity | T | N | 1 |
CHEMBL3317744 | CHEMBL612545 | = | 5,880 | nM | 1 | IC50 | F | U | 0 |
CHEMBL1171981 | CHEMBL612545 | = | 4,470 | nM | 1 | IC50 | F | U | 0 |
CHEMBL5219290 | CHEMBL612545 | = | 250 | nM | 1 | IC50 | F | U | 0 |
CHEMBL5219178 | CHEMBL612545 | = | 320 | nM | 1 | IC50 | F | U | 0 |
CHEMBL5219862 | CHEMBL612545 | = | 370 | nM | 1 | IC50 | F | U | 0 |
CHEMBL4065616 | CHEMBL612545 | = | 320 | nM | 1 | IC50 | F | U | 0 |
CHEMBL3317744 | CHEMBL613510 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL1171981 | CHEMBL613510 | = | 59,250 | nM | 1 | CC50 | T | N | 1 |
CHEMBL5219290 | CHEMBL613510 | = | 48,730 | nM | 1 | CC50 | T | N | 1 |
CHEMBL5219178 | CHEMBL613510 | = | 6,650 | nM | 1 | CC50 | T | N | 1 |