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
|
|---|---|---|---|---|---|---|---|---|---|
CHEMBL542565 | CHEMBL389 | = | 3.4 | null | 0 | Activity | F | N | 1 |
CHEMBL542565 | CHEMBL389 | = | 194 | % | 0 | T/C | F | N | 1 |
CHEMBL543512 | CHEMBL386 | = | 930 | nM | 1 | IC50 | F | N | 1 |
CHEMBL543512 | CHEMBL389 | = | 50 | mg.kg-1 | 1 | DOSE | F | N | 1 |
CHEMBL543512 | CHEMBL389 | = | 6.4 | null | 0 | Activity | F | N | 1 |
CHEMBL543512 | CHEMBL389 | = | 242 | % | 0 | T/C | F | N | 1 |
CHEMBL300432 | CHEMBL2882 | = | 0.000001 | M | 0 | ED50 | F | D | 9 |
CHEMBL300432 | CHEMBL373 | null | null | mg.kg-1 | 0 | ED50 | F | N | 1 |
CHEMBL286931 | CHEMBL366 | = | 3.1 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL286931 | CHEMBL363 | = | 12.5 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL286931 | CHEMBL346 | = | 0.4 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL297330 | CHEMBL3072 | = | 120 | null | 0 | RBA | B | D | 9 |
CHEMBL297330 | CHEMBL3072 | = | 0.7 | null | 0 | Relative activity | F | D | 9 |
CHEMBL757 | CHEMBL3072 | = | 80 | % | 0 | RBA | B | D | 9 |
CHEMBL757 | CHEMBL3072 | = | 0.2 | null | 0 | Relative activity | F | D | 9 |
CHEMBL103 | CHEMBL2596 | = | 100 | % | 0 | RBA | B | D | 9 |
CHEMBL103 | CHEMBL2596 | = | 1 | null | 0 | Relative activity | F | D | 9 |
CHEMBL558173 | CHEMBL375 | > | 1,000 | mg.kg-1 | 1 | LD50 | A | N | 1 |
CHEMBL558173 | CHEMBL376 | = | 25 | mg.kg-1 | 1 | ED50 | F | N | 1 |
CHEMBL558173 | CHEMBL375 | = | 75 | mg.kg-1 | 1 | ED50 | F | N | 1 |
CHEMBL23228 | CHEMBL339 | = | 19 | nM | 1 | IC50 | B | H | 8 |
CHEMBL23228 | CHEMBL376 | = | 1.23 | umol.kg-1 | 1 | ED50 | F | N | 1 |
CHEMBL23228 | CHEMBL376 | = | 0.95 | umol.kg-1 | 1 | ED50 | F | N | 1 |
CHEMBL76018 | CHEMBL375 | = | 1 | % | 1 | Inhibition | F | N | 1 |
CHEMBL76018 | CHEMBL376 | = | 1 | % | 1 | Inhibition | F | N | 1 |
CHEMBL21222 | CHEMBL1907607 | = | 10 | nM | 1 | IC50 | B | D | 5 |
CHEMBL21222 | CHEMBL376 | = | 5 | mg kg-1 | 0 | MED | F | N | 1 |
CHEMBL21087 | CHEMBL1907607 | = | 160 | nM | 1 | IC50 | B | D | 5 |
CHEMBL53366 | CHEMBL5498 | = | 0.317 | nM | 1 | Kb | B | D | 9 |
CHEMBL53366 | CHEMBL211 | = | 4.13 | nM | 1 | Kb | B | H | 8 |
CHEMBL53366 | CHEMBL2095187 | = | 13 | null | 0 | Ratio | B | H | 4 |
CHEMBL103906 | CHEMBL5498 | = | 2.52 | nM | 1 | Kb | B | D | 9 |
CHEMBL103906 | CHEMBL211 | = | 11.6 | nM | 1 | Kb | B | H | 8 |
CHEMBL103906 | CHEMBL2095187 | = | 4.6 | null | 0 | Ratio | B | H | 4 |
CHEMBL296346 | CHEMBL247 | > | 10,000 | nM | 1 | IC50 | B | D | 9 |
CHEMBL296346 | CHEMBL612558 | = | 3,800 | nM | 1 | IC50 | F | U | 0 |
CHEMBL296346 | CHEMBL612558 | > | 1,000 | nM | 1 | IC50 | F | U | 0 |
CHEMBL296346 | CHEMBL612558 | null | null | nM | 0 | IC50 | F | U | 0 |
CHEMBL296346 | CHEMBL612558 | null | null | nM | 0 | IC50 | F | U | 0 |
CHEMBL129 | CHEMBL612558 | = | 4 | nM | 1 | IC50 | F | U | 0 |
CHEMBL129 | CHEMBL612558 | = | 150 | nM | 1 | IC50 | F | U | 0 |
CHEMBL129 | CHEMBL612558 | = | 6 | nM | 1 | IC50 | F | U | 0 |
CHEMBL129 | CHEMBL612558 | = | 4 | nM | 1 | IC50 | F | U | 0 |
CHEMBL129 | CHEMBL247 | null | null | nM | 0 | IC50 | B | H | 8 |
CHEMBL366700 | CHEMBL612558 | = | 76.8 | M-1 s-1 | 0 | kHO | A | U | 0 |
CHEMBL172768 | CHEMBL612558 | = | 27.3 | M-1 s-1 | 0 | kHO | A | U | 0 |
CHEMBL318711 | CHEMBL2094255 | null | null | null | 0 | Activity | B | H | 4 |
CHEMBL97827 | CHEMBL2094255 | null | null | null | 0 | Activity | B | H | 4 |
CHEMBL303519 | CHEMBL217 | = | 9,800 | nM | 1 | IC50 | B | H | 8 |
CHEMBL303519 | CHEMBL234 | = | 5,600 | nM | 1 | IC50 | B | H | 8 |
CHEMBL303519 | CHEMBL219 | = | 20 | nM | 1 | IC50 | B | H | 8 |
CHEMBL303519 | CHEMBL273 | > | 10,000 | nM | 1 | IC50 | B | H | 8 |
CHEMBL122071 | CHEMBL371 | = | 30 | % | 1 | Inhibition | F | N | 1 |
CHEMBL122071 | CHEMBL3771 | > | 100,000 | nM | 1 | IC50 | B | H | 8 |
CHEMBL48946 | CHEMBL285 | = | 41 | nM | 1 | IC50 | B | D | 9 |
CHEMBL48946 | CHEMBL376 | = | -50 | % | 0 | Delta TC | F | N | 1 |
CHEMBL415967 | CHEMBL4791 | = | 91 | % | 1 | Inhibition | B | H | 8 |
CHEMBL415967 | CHEMBL4791 | = | 45 | nM | 1 | IC50 | B | H | 8 |
CHEMBL415967 | CHEMBL1944 | = | 6.9 | nM | 1 | IC50 | B | D | 9 |
CHEMBL50381 | CHEMBL285 | null | null | nM | 0 | IC50 | B | D | 9 |
CHEMBL50381 | CHEMBL4464 | = | 5,500 | nM | 1 | IC50 | B | D | 9 |
CHEMBL431940 | CHEMBL285 | = | 3 | nM | 1 | IC50 | B | D | 9 |
CHEMBL431940 | CHEMBL4464 | = | 450 | nM | 1 | IC50 | B | D | 9 |
CHEMBL428688 | CHEMBL375 | = | -2 | % | 0 | Change | F | N | 1 |
CHEMBL140442 | CHEMBL1902 | = | 3.4 | nM | 1 | IC50 | B | H | 8 |
CHEMBL140442 | CHEMBL612545 | = | 200 | nM | 1 | IC50 | F | U | 0 |
CHEMBL140442 | CHEMBL612545 | > | 380 | nM | 1 | IC50 | F | U | 0 |
CHEMBL117716 | CHEMBL244 | = | 44.4 | nM | 1 | IC50 | B | H | 8 |
CHEMBL117716 | CHEMBL204 | = | 1,270 | nM | 1 | IC50 | B | H | 8 |
CHEMBL117716 | CHEMBL1801 | = | 1,440 | nM | 1 | IC50 | B | H | 8 |
CHEMBL117716 | CHEMBL209 | = | 59.2 | nM | 1 | IC50 | B | H | 8 |
CHEMBL345415 | CHEMBL1907609 | = | 181 | nM | 1 | IC50 | B | H | 4 |
CHEMBL345415 | CHEMBL1907609 | = | 1.07 | nM | 1 | IC50 | B | H | 4 |
CHEMBL345415 | CHEMBL1907609 | = | 169 | null | 0 | Ratio | B | H | 4 |
CHEMBL345415 | CHEMBL216 | = | 120 | nM | 0 | ED50 | F | H | 8 |
CHEMBL345415 | CHEMBL216 | = | 110 | % | 0 | CCh | F | H | 8 |
CHEMBL345415 | CHEMBL211 | = | 4.2 | nM | 0 | ED50 | F | H | 8 |
CHEMBL345415 | CHEMBL211 | = | 130 | % | 0 | CCh | F | H | 8 |
CHEMBL155960 | CHEMBL1907609 | = | 18 | % | 1 | Inhibition | B | H | 4 |
CHEMBL155960 | CHEMBL1907609 | = | 31 | % | 1 | Inhibition | B | H | 4 |
CHEMBL326085 | CHEMBL3996 | = | 21,000 | nM | 1 | IC50 | B | H | 8 |
CHEMBL326085 | CHEMBL3944 | > | 100,000 | nM | 1 | IC50 | B | H | 8 |
CHEMBL54768 | CHEMBL366 | = | 0.042 | ug ml-1 | 0 | IC80 | F | N | 1 |
CHEMBL54768 | CHEMBL366 | = | 0.012 | ug ml-1 | 0 | IC80 | F | N | 1 |
CHEMBL54768 | CHEMBL366 | = | 0.098 | ug ml-1 | 0 | IC80 | F | N | 1 |
CHEMBL54768 | CHEMBL365 | = | 0.82 | ug ml-1 | 0 | IC80 | F | N | 1 |
CHEMBL54768 | CHEMBL365 | = | 0.37 | ug ml-1 | 0 | IC80 | F | N | 1 |
CHEMBL54768 | CHEMBL363 | > | 200 | ug ml-1 | 0 | IC80 | F | N | 1 |
CHEMBL54768 | CHEMBL363 | > | 200 | ug ml-1 | 0 | IC80 | F | N | 1 |
CHEMBL54768 | CHEMBL3849 | = | 0.01 | ug.mL-1 | 1 | IC50 | B | H | 8 |
CHEMBL340006 | CHEMBL265 | = | 46 | nM | 1 | Ki | B | H | 8 |
CHEMBL340006 | CHEMBL339 | = | 265 | nM | 1 | Ki | B | H | 8 |
CHEMBL340006 | CHEMBL376 | = | 1 | MPK | 0 | CAR | F | N | 1 |
CHEMBL336532 | CHEMBL265 | = | 7.6 | nM | 1 | Ki | B | H | 8 |
CHEMBL336532 | CHEMBL339 | = | 1,190 | nM | 1 | Ki | B | H | 8 |
CHEMBL336532 | CHEMBL376 | = | 1 | MPK | 0 | CAR | F | N | 1 |
CHEMBL290133 | CHEMBL369 | > | 20,000 | nM | 1 | IC50 | F | N | 1 |
CHEMBL290133 | CHEMBL369 | = | 0.32 | null | 0 | Intrinsic activity | F | N | 1 |
CHEMBL296415 | CHEMBL389 | = | 0.00086 | ug.mL-1 | 1 | IC50 | F | N | 1 |
CHEMBL296415 | CHEMBL389 | = | 2 | % | 0 | ILS | F | N | 1 |