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
|
|---|---|---|---|---|---|---|---|---|---|
CHEMBL4520920 | CHEMBL614039 | = | 3.38 | % | 0 | Activity | F | N | 1 |
CHEMBL5220150 | CHEMBL614039 | = | 3.01 | % | 0 | Activity | F | N | 1 |
CHEMBL4520920 | CHEMBL614039 | = | 1.69 | % | 0 | Activity | F | N | 1 |
CHEMBL5220150 | CHEMBL614039 | = | 77.7 | % | 0 | Activity | F | N | 1 |
CHEMBL4520920 | CHEMBL614039 | = | 83.77 | % | 0 | Activity | F | N | 1 |
CHEMBL5220150 | CHEMBL614039 | = | 11.75 | % | 0 | Activity | F | N | 1 |
CHEMBL4520920 | CHEMBL614039 | = | 10.38 | % | 0 | Activity | F | N | 1 |
CHEMBL5220150 | CHEMBL614039 | = | 6.37 | % | 0 | Activity | F | N | 1 |
CHEMBL4520920 | CHEMBL614039 | = | 3.3 | % | 0 | Activity | F | N | 1 |
CHEMBL5220150 | CHEMBL614039 | = | 4.17 | % | 0 | Activity | F | N | 1 |
CHEMBL4520920 | CHEMBL614039 | = | 2.55 | % | 0 | Activity | F | N | 1 |
CHEMBL5220150 | CHEMBL4026 | null | null | % | 0 | Inhibition | B | D | 9 |
CHEMBL4520920 | CHEMBL4026 | null | null | % | 0 | Inhibition | B | D | 9 |
CHEMBL5219292 | CHEMBL614590 | = | 4,100 | nM | 1 | IC50 | F | N | 1 |
CHEMBL5220609 | CHEMBL614590 | = | 9,500 | nM | 1 | IC50 | F | N | 1 |
CHEMBL316640 | CHEMBL614590 | = | 1.3 | 10^-5 uM | 0 | IC50 | F | N | 1 |
CHEMBL5220609 | CHEMBL2362975 | = | 84,500 | nM | 1 | IC50 | F | U | 0 |
CHEMBL1668113 | CHEMBL2362975 | = | 41,200 | nM | 1 | IC50 | F | U | 0 |
CHEMBL153 | CHEMBL2362975 | = | 68,000 | nM | 1 | IC50 | F | U | 0 |
CHEMBL5219292 | CHEMBL614448 | = | 31.3 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL1668113 | CHEMBL614448 | = | 31.3 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL5220357 | CHEMBL614448 | = | 500 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL5219217 | CHEMBL614448 | = | 500 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL463809 | CHEMBL614448 | = | 0.05 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL5219292 | CHEMBL613762 | = | 62.5 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL5220609 | CHEMBL613762 | = | 250 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL1668113 | CHEMBL613762 | = | 250 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL463809 | CHEMBL613762 | = | 0.07 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL5219292 | CHEMBL352 | = | 62.5 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL1668113 | CHEMBL352 | = | 125 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL5220357 | CHEMBL352 | = | 125 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL5219217 | CHEMBL352 | = | 500 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL463809 | CHEMBL352 | = | 0.07 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL5219292 | CHEMBL352 | = | 62.5 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL1668113 | CHEMBL352 | = | 500 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL5220357 | CHEMBL352 | = | 500 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL463809 | CHEMBL352 | = | 0.03 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL5219292 | CHEMBL350 | = | 62.5 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL1668113 | CHEMBL350 | = | 62.5 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL5220357 | CHEMBL350 | = | 500 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL5219217 | CHEMBL350 | = | 500 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL463809 | CHEMBL350 | = | 0.03 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL5219292 | CHEMBL350 | = | 62.5 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL1668113 | CHEMBL350 | = | 500 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL5220357 | CHEMBL350 | = | 500 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL463809 | CHEMBL350 | = | 0.07 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL5219292 | CHEMBL348 | = | 31.3 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL1668113 | CHEMBL348 | = | 15.6 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL5220357 | CHEMBL348 | = | 250 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL463809 | CHEMBL348 | = | 0.05 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL5219217 | CHEMBL348 | = | 125 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL5218690 | CHEMBL5058627 | null | null | null | 0 | Activity | F | N | 1 |
CHEMBL5218887 | CHEMBL5058627 | null | null | null | 0 | Activity | F | N | 1 |
CHEMBL5218750 | CHEMBL5058627 | null | null | null | 0 | Activity | F | N | 1 |
CHEMBL5219020 | CHEMBL5058627 | null | null | null | 0 | Activity | F | N | 1 |
CHEMBL5220642 | CHEMBL5058627 | null | null | null | 0 | Activity | F | N | 1 |
CHEMBL5219495 | CHEMBL5058627 | null | null | null | 0 | Activity | F | N | 1 |
CHEMBL3274339 | CHEMBL5058627 | null | null | null | 0 | Activity | F | N | 1 |
CHEMBL454739 | CHEMBL5058627 | null | null | null | 0 | Activity | F | N | 1 |
CHEMBL448359 | CHEMBL5058627 | null | null | null | 0 | Activity | F | N | 1 |
CHEMBL2040594 | CHEMBL5058627 | null | null | null | 0 | Activity | F | N | 1 |
CHEMBL5219964 | CHEMBL5058627 | null | null | null | 0 | Activity | F | N | 1 |
CHEMBL5219536 | CHEMBL5058627 | = | 4.1 | null | 0 | FC | F | N | 1 |
CHEMBL5220260 | CHEMBL5058627 | = | 6 | null | 0 | FC | F | N | 1 |
CHEMBL472 | CHEMBL5058627 | = | 4.93 | null | 0 | FC | F | N | 1 |
CHEMBL5219536 | CHEMBL5058627 | = | 30,800 | nM | 1 | EC50 | F | N | 1 |
CHEMBL5220260 | CHEMBL5058627 | = | 15,200 | nM | 1 | EC50 | F | N | 1 |
CHEMBL25 | CHEMBL5058627 | null | null | null | 0 | EC50 | F | N | 1 |
CHEMBL595 | CHEMBL5058627 | = | 790 | nM | 1 | EC50 | F | N | 1 |
CHEMBL5219536 | CHEMBL5058627 | null | null | null | 0 | Activity | F | N | 1 |
CHEMBL5220260 | CHEMBL5058627 | null | null | null | 0 | Activity | F | N | 1 |
CHEMBL5219536 | CHEMBL239 | = | 56.5 | % | 0 | Activity | B | D | 9 |
CHEMBL5220260 | CHEMBL239 | = | 37.6 | % | 0 | Activity | B | D | 9 |
CHEMBL5219536 | CHEMBL235 | = | 52 | % | 0 | Activity | B | D | 9 |
CHEMBL5220260 | CHEMBL235 | = | 61.2 | % | 0 | Activity | B | D | 9 |
CHEMBL5219536 | CHEMBL3979 | = | 51.8 | % | 0 | Activity | B | D | 9 |
CHEMBL5220260 | CHEMBL3979 | = | 42.1 | % | 0 | Activity | B | D | 9 |
CHEMBL5219536 | CHEMBL206 | null | null | null | 0 | Activity | B | D | 9 |
CHEMBL5219536 | CHEMBL242 | null | null | null | 0 | Activity | B | D | 9 |
CHEMBL5219536 | CHEMBL2034 | null | null | null | 0 | Activity | B | D | 9 |
CHEMBL5219536 | CHEMBL239 | = | 9,400 | nM | 1 | Ki | B | D | 9 |
CHEMBL5220260 | CHEMBL239 | null | null | null | 0 | Ki | B | D | 9 |
CHEMBL595 | CHEMBL239 | null | null | null | 0 | Ki | B | D | 9 |
CHEMBL21241 | CHEMBL239 | = | 7 | nM | 1 | Ki | B | D | 9 |
CHEMBL5219536 | CHEMBL235 | = | 19,100 | nM | 1 | Ki | B | D | 9 |
CHEMBL5220260 | CHEMBL235 | = | 6,600 | nM | 1 | Ki | B | D | 9 |
CHEMBL595 | CHEMBL235 | = | 600 | nM | 1 | Ki | B | D | 9 |
CHEMBL434063 | CHEMBL235 | = | 2 | nM | 1 | Ki | B | D | 9 |
CHEMBL5219536 | CHEMBL3979 | = | 18,800 | nM | 1 | Ki | B | D | 9 |
CHEMBL5220260 | CHEMBL3979 | null | null | null | 0 | Ki | B | D | 9 |
CHEMBL595 | CHEMBL3979 | null | null | null | 0 | Ki | B | D | 9 |
CHEMBL38943 | CHEMBL3979 | = | 1 | nM | 1 | Ki | B | D | 9 |
CHEMBL5219536 | CHEMBL235 | null | null | % | 0 | Inhibition | B | D | 9 |
CHEMBL5220260 | CHEMBL235 | null | null | % | 0 | Inhibition | B | D | 9 |
CHEMBL5219536 | CHEMBL239 | = | 58,200 | nM | 1 | EC50 | B | D | 9 |
CHEMBL5220260 | CHEMBL239 | null | null | null | 0 | EC50 | B | D | 9 |
CHEMBL21241 | CHEMBL239 | = | 20 | nM | 1 | EC50 | B | D | 9 |
CHEMBL5219536 | CHEMBL235 | = | 50,800 | nM | 1 | EC50 | B | D | 9 |
CHEMBL5220260 | CHEMBL235 | null | null | null | 0 | EC50 | B | D | 9 |
CHEMBL434063 | CHEMBL235 | = | 50 | nM | 1 | EC50 | B | D | 9 |