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
|
|---|---|---|---|---|---|---|---|---|---|
CHEMBL278700 | CHEMBL2853 | = | 3,900 | nM | 1 | IC50 | B | H | 8 |
CHEMBL151539 | CHEMBL332 | = | 13 | nM | 1 | IC50 | B | H | 8 |
CHEMBL151539 | CHEMBL333 | < | 0.4 | nM | 1 | IC50 | B | H | 8 |
CHEMBL151539 | CHEMBL283 | = | 2 | nM | 1 | IC50 | B | H | 8 |
CHEMBL151539 | CHEMBL4073 | = | 381 | nM | 1 | IC50 | B | H | 8 |
CHEMBL151539 | CHEMBL280 | < | 1 | nM | 1 | IC50 | B | H | 8 |
CHEMBL151539 | CHEMBL376 | null | null | null | 0 | Absorption | A | N | 1 |
CHEMBL145741 | CHEMBL4471 | = | 74.13 | nM | 1 | Ki | B | H | 8 |
CHEMBL145741 | CHEMBL3769 | = | 690.24 | nM | 1 | Ki | B | D | 9 |
CHEMBL145741 | CHEMBL244 | = | 1,999.86 | nM | 1 | Ki | B | H | 8 |
CHEMBL145795 | CHEMBL4471 | = | 199.99 | nM | 1 | Ki | B | H | 8 |
CHEMBL145795 | CHEMBL3769 | = | 1,199.5 | nM | 1 | Ki | B | D | 9 |
CHEMBL145795 | CHEMBL244 | = | 26,977.39 | nM | 1 | Ki | B | H | 8 |
CHEMBL357211 | CHEMBL4471 | = | 279.9 | nM | 1 | Ki | B | H | 8 |
CHEMBL357211 | CHEMBL3769 | = | 119.95 | nM | 1 | Ki | B | D | 9 |
CHEMBL357211 | CHEMBL244 | = | 16,982.44 | nM | 1 | Ki | B | H | 8 |
CHEMBL435423 | CHEMBL4471 | = | 1,199.5 | nM | 1 | Ki | B | H | 8 |
CHEMBL435423 | CHEMBL3769 | = | 14,125.38 | nM | 1 | Ki | B | D | 9 |
CHEMBL435423 | CHEMBL244 | = | 64,565.42 | nM | 1 | Ki | B | H | 8 |
CHEMBL1161260 | CHEMBL4471 | = | 2,897.34 | nM | 1 | Ki | B | H | 8 |
CHEMBL1161260 | CHEMBL3769 | = | 15,995.58 | nM | 1 | Ki | B | D | 9 |
CHEMBL1161260 | CHEMBL244 | = | 130,016.96 | nM | 1 | Ki | B | H | 8 |
CHEMBL1161256 | CHEMBL4471 | = | 29,991.63 | nM | 1 | Ki | B | H | 8 |
CHEMBL1161256 | CHEMBL3769 | = | 118,032.06 | nM | 1 | Ki | B | D | 9 |
CHEMBL1161256 | CHEMBL244 | = | 130,016.96 | nM | 1 | Ki | B | H | 8 |
CHEMBL275216 | CHEMBL354 | = | 0.1 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL15353 | CHEMBL354 | = | 0.05 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL15322 | CHEMBL354 | = | 0.05 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL279854 | CHEMBL354 | = | 0.4 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL790 | CHEMBL3471 | > | 50 | % | 1 | Inhibition | B | D | 9 |
CHEMBL790 | CHEMBL3471 | < | 50 | % | 1 | Inhibition | B | D | 9 |
CHEMBL790 | CHEMBL3471 | < | 50 | % | 1 | Inhibition | B | H | 8 |
CHEMBL308930 | CHEMBL378 | = | 95,000 | nM | 1 | IC50 | F | N | 1 |
CHEMBL308930 | CHEMBL374 | = | 80 | nM | 1 | IC50 | F | N | 1 |
CHEMBL308930 | CHEMBL378 | > | 100,000 | nM | 1 | CC50 | F | N | 1 |
CHEMBL39398 | CHEMBL1907608 | = | 61 | % | 1 | Inhibition | B | H | 4 |
CHEMBL39398 | CHEMBL1907608 | = | 0 | % | 1 | Inhibition | B | H | 4 |
CHEMBL39398 | CHEMBL375 | null | null | mg.kg-1 | 0 | ED50 | F | N | 1 |
CHEMBL292697 | CHEMBL3081 | = | 10,890 | nM | 1 | IC50 | B | D | 9 |
CHEMBL435386 | CHEMBL3879801 | = | 0.1 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL435386 | CHEMBL3879801 | = | 0.1 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL435386 | CHEMBL3879801 | > | 100 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL435386 | CHEMBL347 | = | 0.03 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL435386 | CHEMBL3879801 | > | 128 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL435386 | CHEMBL347 | = | 0.5 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL435386 | CHEMBL3879801 | = | 0.03 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL435386 | CHEMBL3879801 | > | 128 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL435386 | CHEMBL3879801 | = | 0.5 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL435386 | CHEMBL3879801 | = | 8 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL289142 | CHEMBL1907608 | = | 56 | nM | 1 | IC50 | B | D | 5 |
CHEMBL289142 | CHEMBL1907608 | = | 15,500 | nM | 1 | IC50 | B | H | 4 |
CHEMBL289142 | CHEMBL375 | = | 0.47 | mg.kg-1 | 1 | ED50 | F | N | 1 |
CHEMBL420762 | CHEMBL1790 | = | 9.42 | nM | 1 | Ki | B | H | 8 |
CHEMBL438897 | CHEMBL1855 | = | 0.24 | nM | 1 | Ki | B | H | 8 |
CHEMBL438897 | CHEMBL376 | = | 2 | null | 0 | No. of rats | F | N | 1 |
CHEMBL118299 | CHEMBL3890 | = | 21 | nM | 1 | IC50 | B | H | 8 |
CHEMBL118299 | CHEMBL3070 | = | 40 | nM | 1 | IC50 | B | H | 8 |
CHEMBL118299 | CHEMBL3735 | > | 1,000 | nM | 1 | IC50 | B | H | 8 |
CHEMBL116958 | CHEMBL3890 | = | 680 | nM | 1 | IC50 | B | H | 8 |
CHEMBL116958 | CHEMBL3070 | = | 600 | nM | 1 | IC50 | B | H | 8 |
CHEMBL116958 | CHEMBL3735 | > | 1,000 | nM | 1 | IC50 | B | H | 8 |
CHEMBL132989 | CHEMBL3879801 | = | 6.2 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL132989 | CHEMBL3879801 | = | 6.2 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL132989 | CHEMBL3879801 | > | 100 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL132989 | CHEMBL347 | = | 1 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL132989 | CHEMBL3879801 | = | 32 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL132989 | CHEMBL347 | = | 1 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL132989 | CHEMBL3879801 | = | 0.5 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL132989 | CHEMBL3879801 | = | 64 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL132989 | CHEMBL3879801 | = | 4 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL132989 | CHEMBL3879801 | > | 64 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL52600 | CHEMBL345 | = | 32 | % | 1 | Inhibition | B | M | 3 |
CHEMBL3215340 | CHEMBL386 | > | 500,000 | nM | 1 | IC50 | F | N | 1 |
CHEMBL3215340 | CHEMBL614177 | > | 500,000 | nM | 1 | IC50 | F | N | 1 |
CHEMBL3215340 | CHEMBL382 | > | 500,000 | nM | 1 | IC50 | F | N | 1 |
CHEMBL3215340 | CHEMBL378 | > | 250,000 | nM | 1 | EC50 | F | N | 1 |
CHEMBL3215340 | CHEMBL380 | > | 250,000 | nM | 1 | EC50 | F | N | 1 |
CHEMBL3215340 | CHEMBL375 | > | 100,000 | nM | 1 | EC50 | F | N | 1 |
CHEMBL3215340 | CHEMBL375 | > | 100,000 | nM | 1 | MIC | F | N | 1 |
CHEMBL405267 | CHEMBL386 | > | 250,000 | nM | 1 | IC50 | F | N | 1 |
CHEMBL405267 | CHEMBL614177 | > | 250,000 | nM | 1 | IC50 | F | N | 1 |
CHEMBL405267 | CHEMBL382 | > | 250,000 | nM | 1 | IC50 | F | N | 1 |
CHEMBL405267 | CHEMBL378 | = | 750 | nM | 1 | EC50 | F | N | 1 |
CHEMBL405267 | CHEMBL380 | = | 4,500 | nM | 1 | EC50 | F | N | 1 |
CHEMBL405267 | CHEMBL375 | > | 4,000 | nM | 1 | EC50 | F | N | 1 |
CHEMBL405267 | CHEMBL375 | = | 20,000 | nM | 1 | MIC | F | N | 1 |
CHEMBL46425 | CHEMBL3994 | = | 20 | nM | 1 | IC50 | B | D | 9 |
CHEMBL46425 | CHEMBL612545 | = | 70 | nM | 1 | IC50 | B | U | 0 |
CHEMBL46425 | CHEMBL612545 | < | 70 | nM | 1 | IC50 | F | U | 0 |
CHEMBL46425 | CHEMBL612545 | > | 30,000 | nM | 1 | IC50 | F | U | 0 |
CHEMBL46425 | CHEMBL352 | < | 0.001 | ug.mL-1 | 1 | MIC50 | F | N | 1 |
CHEMBL46425 | CHEMBL355 | > | 64 | ug.mL-1 | 1 | MIC50 | F | N | 1 |
CHEMBL46425 | CHEMBL354 | > | 64 | ug.mL-1 | 1 | MIC50 | F | N | 1 |
CHEMBL46425 | CHEMBL347 | > | 64 | ug.mL-1 | 1 | MIC50 | F | N | 1 |
CHEMBL46425 | CHEMBL362 | > | 64 | ug.mL-1 | 1 | MIC50 | F | N | 1 |
CHEMBL46425 | CHEMBL614429 | = | 2 | ug.mL-1 | 1 | MIC50 | F | N | 1 |
CHEMBL125482 | CHEMBL612558 | = | 76.6 | umol.kg-1 | 1 | ED50 | F | U | 0 |
CHEMBL125482 | CHEMBL612558 | = | 54.6 | umol.kg-1 | 1 | ED50 | F | U | 0 |
CHEMBL134277 | CHEMBL208 | = | 174 | % | 0 | Efficacy | F | H | 8 |
CHEMBL134277 | CHEMBL208 | = | 0.71 | nM | 1 | EC50 | F | H | 8 |