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
|
|---|---|---|---|---|---|---|---|---|---|
CHEMBL5219862 | CHEMBL613510 | = | 58,890 | nM | 1 | CC50 | T | N | 1 |
CHEMBL5219042 | CHEMBL613510 | = | 50,060 | nM | 1 | CC50 | T | N | 1 |
CHEMBL512759 | CHEMBL613510 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL504997 | CHEMBL613510 | = | 79,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL3120496 | CHEMBL613510 | = | 33,780 | nM | 1 | CC50 | T | N | 1 |
CHEMBL444160 | CHEMBL613510 | = | 60,880 | nM | 1 | CC50 | T | N | 1 |
CHEMBL156897 | CHEMBL613510 | = | 42,410 | nM | 1 | CC50 | T | N | 1 |
CHEMBL504978 | CHEMBL613510 | = | 21,080 | nM | 1 | CC50 | T | N | 1 |
CHEMBL4065616 | CHEMBL613510 | = | 53,180 | nM | 1 | CC50 | T | N | 1 |
CHEMBL3317744 | CHEMBL612558 | > | 17 | null | 0 | Ratio CC50/IC50 | T | U | 0 |
CHEMBL1171981 | CHEMBL612558 | = | 13.2 | null | 0 | Ratio CC50/IC50 | T | U | 0 |
CHEMBL5219290 | CHEMBL612558 | = | 194.92 | null | 0 | Ratio CC50/IC50 | T | U | 0 |
CHEMBL5219178 | CHEMBL612558 | = | 20.78 | null | 0 | Ratio CC50/IC50 | T | U | 0 |
CHEMBL5219862 | CHEMBL612558 | = | 159.16 | null | 0 | Ratio CC50/IC50 | T | U | 0 |
CHEMBL4065616 | CHEMBL612558 | = | 166.19 | null | 0 | Ratio CC50/IC50 | T | U | 0 |
CHEMBL3317744 | CHEMBL4303835 | = | 9,390 | nM | 1 | IC50 | F | N | 1 |
CHEMBL1171981 | CHEMBL4303835 | = | 14,960 | nM | 1 | IC50 | F | N | 1 |
CHEMBL5219290 | CHEMBL4303835 | = | 4,840 | nM | 1 | IC50 | F | N | 1 |
CHEMBL5219178 | CHEMBL4303835 | = | 430 | nM | 1 | IC50 | F | N | 1 |
CHEMBL5219862 | CHEMBL4303835 | = | 510 | nM | 1 | IC50 | F | N | 1 |
CHEMBL4065616 | CHEMBL4303835 | = | 22,530 | nM | 1 | IC50 | F | N | 1 |
CHEMBL3317744 | CHEMBL4303835 | = | 3.98 | ug.mL-1 | 1 | IC50 | F | N | 1 |
CHEMBL1171981 | CHEMBL4303835 | = | 6.11 | ug.mL-1 | 1 | IC50 | F | N | 1 |
CHEMBL5219290 | CHEMBL4303835 | = | 1.69 | ug.mL-1 | 1 | IC50 | F | N | 1 |
CHEMBL5219178 | CHEMBL4303835 | = | 0.16 | ug.mL-1 | 1 | IC50 | F | N | 1 |
CHEMBL5219862 | CHEMBL4303835 | = | 0.18 | ug.mL-1 | 1 | IC50 | F | N | 1 |
CHEMBL3317744 | CHEMBL391 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL1171981 | CHEMBL391 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL5219290 | CHEMBL391 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL5219178 | CHEMBL391 | = | 26,250 | nM | 1 | CC50 | T | N | 1 |
CHEMBL5219862 | CHEMBL391 | = | 57,070 | nM | 1 | CC50 | T | N | 1 |
CHEMBL5219042 | CHEMBL391 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL512759 | CHEMBL391 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL504997 | CHEMBL391 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL3120496 | CHEMBL391 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL444160 | CHEMBL391 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL156897 | CHEMBL391 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL504978 | CHEMBL391 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL4065616 | CHEMBL391 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL3317744 | CHEMBL612558 | > | 10.65 | null | 0 | Ratio CC50/IC50 | T | U | 0 |
CHEMBL1171981 | CHEMBL612558 | > | 6.68 | null | 0 | Ratio CC50/IC50 | T | U | 0 |
CHEMBL5219290 | CHEMBL612558 | > | 20.66 | null | 0 | Ratio CC50/IC50 | T | U | 0 |
CHEMBL5219178 | CHEMBL612558 | = | 61.05 | null | 0 | Ratio CC50/IC50 | T | U | 0 |
CHEMBL5219862 | CHEMBL612558 | = | 111.9 | null | 0 | Ratio CC50/IC50 | T | U | 0 |
CHEMBL4065616 | CHEMBL612558 | > | 4.44 | null | 0 | Ratio CC50/IC50 | T | U | 0 |
CHEMBL3317744 | CHEMBL614534 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL1171981 | CHEMBL614534 | = | 88,110 | nM | 1 | CC50 | T | N | 1 |
CHEMBL5219290 | CHEMBL614534 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL5219178 | CHEMBL614534 | = | 98,700 | nM | 1 | CC50 | T | N | 1 |
CHEMBL5219862 | CHEMBL614534 | = | 41,870 | nM | 1 | CC50 | T | N | 1 |
CHEMBL5219042 | CHEMBL614534 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL512759 | CHEMBL614534 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL504997 | CHEMBL614534 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL3120496 | CHEMBL614534 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL444160 | CHEMBL614534 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL156897 | CHEMBL614534 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL504978 | CHEMBL614534 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL4065616 | CHEMBL614534 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL3317744 | CHEMBL614181 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL1171981 | CHEMBL614181 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL5219290 | CHEMBL614181 | = | 54,330 | nM | 1 | CC50 | T | N | 1 |
CHEMBL5219178 | CHEMBL614181 | = | 9,990 | nM | 1 | CC50 | T | N | 1 |
CHEMBL5219862 | CHEMBL614181 | = | 31,180 | nM | 1 | CC50 | T | N | 1 |
CHEMBL5219042 | CHEMBL614181 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL512759 | CHEMBL614181 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL504997 | CHEMBL614181 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL3120496 | CHEMBL614181 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL444160 | CHEMBL614181 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL156897 | CHEMBL614181 | = | 91,160 | nM | 1 | CC50 | T | N | 1 |
CHEMBL504978 | CHEMBL614181 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL4065616 | CHEMBL614181 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL3317744 | CHEMBL395 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL1171981 | CHEMBL395 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL5219290 | CHEMBL395 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL5219178 | CHEMBL395 | = | 86,650 | nM | 1 | CC50 | T | N | 1 |
CHEMBL5219862 | CHEMBL395 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL5219042 | CHEMBL395 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL512759 | CHEMBL395 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL504997 | CHEMBL395 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL3120496 | CHEMBL395 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL444160 | CHEMBL395 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL156897 | CHEMBL395 | = | 85,650 | nM | 1 | CC50 | T | N | 1 |
CHEMBL504978 | CHEMBL395 | > | 100,000 | nM | 1 | CC50 | T | N | 1 |
CHEMBL4065616 | CHEMBL395 | = | 52,620 | nM | 1 | CC50 | T | N | 1 |
CHEMBL250451 | CHEMBL4303835 | = | 11 | nM | 1 | IC50 | F | N | 1 |
CHEMBL459546 | CHEMBL4303835 | = | 49 | nM | 1 | IC50 | F | N | 1 |
CHEMBL5218977 | CHEMBL4302 | null | null | % | 0 | Inhibition | B | D | 9 |
CHEMBL5221066 | CHEMBL4302 | null | null | % | 0 | Inhibition | B | D | 9 |
CHEMBL5219164 | CHEMBL4302 | null | null | % | 0 | Inhibition | B | D | 9 |
CHEMBL5219093 | CHEMBL4302 | null | null | % | 0 | Inhibition | B | D | 9 |
CHEMBL5218977 | CHEMBL612657 | null | null | null | 0 | Activity | F | N | 1 |
CHEMBL5221066 | CHEMBL612657 | null | null | null | 0 | Activity | F | N | 1 |
CHEMBL5219164 | CHEMBL612657 | null | null | null | 0 | Activity | F | N | 1 |
CHEMBL5219093 | CHEMBL612657 | null | null | null | 0 | Activity | F | N | 1 |
CHEMBL5218977 | CHEMBL612518 | null | null | null | 0 | Activity | F | N | 1 |
CHEMBL5221066 | CHEMBL612518 | null | null | null | 0 | Activity | F | N | 1 |
CHEMBL5219164 | CHEMBL612518 | null | null | null | 0 | Activity | F | N | 1 |
CHEMBL5219093 | CHEMBL612518 | null | null | null | 0 | Activity | F | N | 1 |
CHEMBL5218977 | CHEMBL4296508 | null | null | null | 0 | Activity | F | N | 1 |
CHEMBL5221066 | CHEMBL4296508 | null | null | null | 0 | Activity | F | N | 1 |