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
|
|---|---|---|---|---|---|---|---|---|---|
CHEMBL121627 | CHEMBL4426 | = | 1.4 | nM | 1 | IC50 | B | H | 8 |
CHEMBL143756 | CHEMBL2991 | > | 100,000 | nM | 1 | IC50 | B | H | 8 |
CHEMBL143756 | CHEMBL2383 | > | 100,000 | nM | 1 | IC50 | B | H | 8 |
CHEMBL143756 | CHEMBL375 | = | 10 | % | 1 | Inhibition | F | N | 1 |
CHEMBL143756 | CHEMBL376 | = | 23 | % | 1 | Inhibition | F | N | 1 |
CHEMBL140210 | CHEMBL2991 | = | 37,200 | nM | 1 | IC50 | B | H | 8 |
CHEMBL140210 | CHEMBL2383 | = | 4,570 | nM | 1 | IC50 | B | H | 8 |
CHEMBL140210 | CHEMBL375 | = | 36 | % | 1 | Inhibition | F | N | 1 |
CHEMBL140210 | CHEMBL376 | = | 3 | % | 1 | Inhibition | F | N | 1 |
CHEMBL342581 | CHEMBL2991 | = | 8,910 | nM | 1 | IC50 | B | H | 8 |
CHEMBL342581 | CHEMBL2383 | = | 11,700 | nM | 1 | IC50 | B | H | 8 |
CHEMBL342581 | CHEMBL375 | = | 22 | % | 1 | Inhibition | F | N | 1 |
CHEMBL342581 | CHEMBL376 | = | 17 | % | 1 | Inhibition | F | N | 1 |
CHEMBL31921 | CHEMBL614042 | = | 0 | null | 0 | No. deaths/treated | F | N | 1 |
CHEMBL31921 | CHEMBL614042 | = | 87 | % | 0 | T/C | F | N | 1 |
CHEMBL31921 | CHEMBL614121 | = | 182 | % | 0 | T/C | F | N | 1 |
CHEMBL304123 | CHEMBL3102 | = | 354,813.39 | nM | 1 | IC50 | B | H | 8 |
CHEMBL77052 | CHEMBL364 | = | 4.25 | nM | 1 | IC50 | F | N | 1 |
CHEMBL313483 | CHEMBL332 | = | 2,270 | nM | 1 | Ki | B | H | 8 |
CHEMBL313483 | CHEMBL283 | = | 43 | nM | 1 | Ki | B | H | 8 |
CHEMBL313483 | CHEMBL4588 | < | 1 | nM | 1 | Ki | B | D | 9 |
CHEMBL87113 | CHEMBL332 | = | 80 | nM | 1 | Ki | B | H | 8 |
CHEMBL87113 | CHEMBL283 | = | 6 | nM | 1 | Ki | B | H | 8 |
CHEMBL102654 | CHEMBL614806 | > | 100 | ug ml-1 | 0 | C50 | F | N | 1 |
CHEMBL335297 | CHEMBL273 | = | 3.162 | nM | 1 | Ki | B | H | 8 |
CHEMBL335297 | CHEMBL3459 | = | 794.33 | nM | 1 | Ki | B | H | 8 |
CHEMBL335297 | CHEMBL376 | = | 1.41 | mg.kg-1 | 1 | ID50 | F | N | 1 |
CHEMBL335297 | CHEMBL376 | > | 40 | mg kg-1 | 0 | MED | F | N | 1 |
CHEMBL335297 | CHEMBL376 | = | 1.25 | mg kg-1 | 0 | MED | F | N | 1 |
CHEMBL335297 | CHEMBL376 | = | 4 | % | 0 | Max effect | F | N | 1 |
CHEMBL335297 | CHEMBL376 | = | 96 | % | 0 | Max effect | F | N | 1 |
CHEMBL335297 | CHEMBL612545 | > | 32 | null | 0 | Ratio | F | U | 0 |
CHEMBL335297 | CHEMBL1907610 | = | 1.25 | mg.kg-1 | 1 | ED50 | B | H | 4 |
CHEMBL335297 | CHEMBL339 | > | 40 | mg.kg-1 | 1 | ID50 | B | H | 8 |
CHEMBL268064 | CHEMBL3974 | = | 8,000 | nM | 1 | EC50 | F | H | 8 |
CHEMBL115543 | CHEMBL3974 | = | 1,000 | nM | 1 | EC50 | F | H | 8 |
CHEMBL335036 | CHEMBL3974 | > | 800,000 | nM | 1 | EC50 | F | H | 8 |
CHEMBL337875 | CHEMBL3974 | = | 800 | nM | 1 | EC50 | F | H | 8 |
CHEMBL130058 | CHEMBL3974 | = | 70,000 | nM | 1 | EC50 | F | H | 8 |
CHEMBL132254 | CHEMBL3974 | = | 800,000 | nM | 1 | EC50 | F | H | 8 |
CHEMBL433847 | CHEMBL3974 | > | 800,000 | nM | 1 | EC50 | F | H | 8 |
CHEMBL131011 | CHEMBL273 | = | 1.738 | nM | 1 | Ki | B | H | 8 |
CHEMBL131011 | CHEMBL3459 | = | 199.53 | nM | 1 | Ki | B | H | 8 |
CHEMBL131011 | CHEMBL376 | = | 1.32 | mg.kg-1 | 1 | ID50 | F | N | 1 |
CHEMBL131011 | CHEMBL376 | = | 10 | mg kg-1 | 0 | MED | F | N | 1 |
CHEMBL131011 | CHEMBL376 | = | 0.63 | mg kg-1 | 0 | MED | F | N | 1 |
CHEMBL131011 | CHEMBL376 | = | 43 | % | 0 | Max effect | F | N | 1 |
CHEMBL131011 | CHEMBL376 | = | 63 | % | 0 | Max effect | F | N | 1 |
CHEMBL131011 | CHEMBL612545 | = | 15.8 | null | 0 | Ratio | F | U | 0 |
CHEMBL131011 | CHEMBL1907610 | = | 17.78 | nM | 1 | Ki | B | D | 5 |
CHEMBL131011 | CHEMBL339 | = | 41.69 | nM | 1 | Ki | B | D | 9 |
CHEMBL131011 | CHEMBL2097171 | = | 18.6 | null | 0 | Ki ratio | B | D | 5 |
CHEMBL131011 | CHEMBL214 | = | 43.6 | null | 0 | Ki ratio | B | H | 8 |
CHEMBL131011 | CHEMBL1907610 | = | 5 | mg.kg-1 | 1 | ED50 | B | H | 4 |
CHEMBL131011 | CHEMBL339 | > | 40 | mg.kg-1 | 1 | ID50 | B | H | 8 |
CHEMBL20224 | CHEMBL1809 | = | 3.802 | nM | 1 | Ki | B | H | 8 |
CHEMBL162006 | CHEMBL338 | = | 126 | nM | 1 | IC50 | B | H | 8 |
CHEMBL162006 | CHEMBL313 | = | 761 | nM | 1 | IC50 | B | H | 8 |
CHEMBL162006 | CHEMBL2094252 | = | 6 | null | 0 | Selectivity | B | D | 5 |
CHEMBL330844 | CHEMBL4426 | = | 23 | nM | 1 | IC50 | B | H | 8 |
CHEMBL330844 | CHEMBL4426 | = | 100 | nM | 1 | IC50 | B | H | 8 |
CHEMBL318730 | CHEMBL247 | = | 457.09 | nM | 1 | IC50 | B | D | 9 |
CHEMBL21032 | CHEMBL1926 | = | 21.38 | nM | 1 | Ki | B | D | 9 |
CHEMBL20129 | CHEMBL1926 | = | 6.761 | nM | 1 | Ki | B | D | 9 |
CHEMBL338077 | CHEMBL283 | = | 9.499 | nM | 1 | IC50 | B | H | 8 |
CHEMBL339219 | CHEMBL283 | = | 54 | nM | 1 | IC50 | B | H | 8 |
CHEMBL429 | CHEMBL3253 | = | 0.14 | null | 0 | Log K' | B | H | 8 |
CHEMBL34259 | CHEMBL3253 | = | 0.77 | null | 0 | Log K' | B | H | 8 |
CHEMBL822 | CHEMBL3253 | = | 1.17 | null | 0 | Log K' | B | H | 8 |
CHEMBL6710 | CHEMBL322 | = | 1.2 | nM | 1 | Ki | B | H | 8 |
CHEMBL6710 | CHEMBL324 | = | 0.26 | nM | 1 | Ki | B | H | 8 |
CHEMBL6710 | CHEMBL322 | = | 8.38 | nM | 1 | EC50 | B | H | 8 |
CHEMBL6710 | CHEMBL322 | = | 80 | % | 0 | Max stimulation | B | H | 8 |
CHEMBL63875 | CHEMBL3471 | < | 50 | % | 1 | Inhibition | B | D | 9 |
CHEMBL63875 | CHEMBL3471 | < | 50 | % | 1 | Inhibition | B | D | 9 |
CHEMBL324842 | CHEMBL3471 | = | 9,000 | nM | 1 | IC50 | B | D | 9 |
CHEMBL325712 | CHEMBL612600 | = | 50 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL113395 | CHEMBL612600 | = | 0.037 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL113395 | CHEMBL376 | = | 59 | % | 1 | Inhibition | F | N | 1 |
CHEMBL113395 | CHEMBL369 | = | 65 | % | 1 | Inhibition | F | N | 1 |
CHEMBL423694 | CHEMBL236 | = | 1.56 | nM | 1 | IC50 | B | H | 8 |
CHEMBL423694 | CHEMBL233 | = | 5,250 | nM | 1 | IC50 | B | H | 8 |
CHEMBL423694 | CHEMBL237 | > | 10,000 | nM | 1 | IC50 | B | H | 8 |
CHEMBL423694 | CHEMBL2095149 | = | 3,370 | null | 0 | Ratio | B | H | 4 |
CHEMBL423694 | CHEMBL2095151 | > | 6,410 | null | 0 | Ratio | B | H | 4 |
CHEMBL423694 | CHEMBL236 | = | 13.7 | nM | 1 | EC50 | F | H | 8 |
CHEMBL423694 | CHEMBL236 | = | 109 | % | 0 | Emax | F | H | 8 |
CHEMBL423694 | CHEMBL376 | = | 1 | % | 0 | Remaining | A | N | 1 |
CHEMBL423694 | CHEMBL376 | = | 58 | % | 0 | Remaining | A | N | 1 |
CHEMBL17002 | CHEMBL318 | = | 37.6 | nM | 1 | Ki | F | H | 8 |
CHEMBL17002 | CHEMBL302 | = | 548 | nM | 1 | Ki | F | H | 8 |
CHEMBL17002 | CHEMBL226 | = | 157 | nM | 1 | Ki | F | H | 8 |
CHEMBL17002 | CHEMBL251 | = | 112 | nM | 1 | Ki | F | H | 8 |
CHEMBL17002 | CHEMBL255 | = | 1.39 | nM | 1 | Ki | F | D | 9 |
CHEMBL17002 | CHEMBL256 | = | 230 | nM | 1 | Ki | F | H | 8 |
CHEMBL17002 | CHEMBL2096908 | = | 110 | null | 0 | Ratio | B | H | 4 |
CHEMBL17002 | CHEMBL2094257 | = | 81 | null | 0 | Ratio | B | H | 4 |
CHEMBL17002 | CHEMBL2095234 | = | 170 | null | 0 | Ratio | B | H | 4 |
CHEMBL50117 | CHEMBL204 | = | 890 | nM | 1 | IC50 | B | H | 8 |
CHEMBL55842 | CHEMBL3081 | = | 18 | % | 1 | Inhibition | B | H | 8 |