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
|
|---|---|---|---|---|---|---|---|---|---|
CHEMBL305153 | CHEMBL5414 | = | 16.98 | nM | 1 | Kd | F | D | 9 |
CHEMBL305153 | CHEMBL213 | = | 29.4 | nM | 1 | IC50 | B | H | 8 |
CHEMBL305153 | CHEMBL3373 | = | 30.8 | nM | 1 | IC50 | B | H | 8 |
CHEMBL305153 | CHEMBL5414 | = | 1.05 | null | 0 | Ratio | B | D | 9 |
CHEMBL290578 | CHEMBL375 | = | 100 | % | 0 | Reduction | F | N | 1 |
CHEMBL290578 | CHEMBL375 | = | 80 | % | 0 | Reduction | F | N | 1 |
CHEMBL290578 | CHEMBL375 | = | 20 | % | 0 | Reduction | F | N | 1 |
CHEMBL290578 | CHEMBL375 | = | 0 | % | 0 | Reduction | F | N | 1 |
CHEMBL290578 | CHEMBL375 | = | 0 | % | 0 | Reduction | F | N | 1 |
CHEMBL1446 | CHEMBL352 | = | 7.8 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL1446 | CHEMBL356 | = | 15.6 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL1446 | CHEMBL362 | = | 250 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL1446 | CHEMBL347 | = | 125 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL1446 | CHEMBL354 | = | 3.9 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL1446 | CHEMBL350 | < | 1 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL1446 | CHEMBL612545 | = | 2 | ug.mL-1 | 1 | MIC | F | U | 0 |
CHEMBL1446 | CHEMBL348 | = | 62.5 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL1446 | CHEMBL614450 | = | 15.6 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL1446 | CHEMBL614444 | = | 62.5 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL1446 | CHEMBL614593 | = | 7.8 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL1446 | CHEMBL614446 | = | 15.6 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL1446 | CHEMBL348 | = | 15.6 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL1446 | CHEMBL348 | = | 15.6 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL1446 | CHEMBL348 | = | 31.2 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL1446 | CHEMBL348 | = | 31.2 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL1446 | CHEMBL348 | = | 62.5 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL1446 | CHEMBL348 | = | 15.6 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL1446 | CHEMBL348 | > | 125 | ug.mL-1 | 1 | MIC | F | N | 1 |
CHEMBL156707 | CHEMBL3444 | = | 1,584.89 | nM | 1 | IC50 | B | H | 8 |
CHEMBL156707 | CHEMBL4048 | null | null | null | 0 | pI50 | B | H | 8 |
CHEMBL156707 | CHEMBL3879801 | null | null | null | 0 | pI50 | B | N | 1 |
CHEMBL156707 | CHEMBL614641 | null | null | null | 0 | pI50 | F | N | 1 |
CHEMBL12902 | CHEMBL369 | > | 1,000 | nM | 1 | Kd | F | N | 1 |
CHEMBL13228 | CHEMBL369 | = | 0.3981 | nM | 1 | Kd | F | N | 1 |
CHEMBL13228 | CHEMBL369 | = | 0.7943 | nM | 1 | Kd | F | N | 1 |
CHEMBL13228 | CHEMBL369 | = | 2 | null | 0 | Selectivity | F | N | 1 |
CHEMBL13228 | CHEMBL369 | > | 60 | min | 0 | Duration | F | N | 1 |
CHEMBL267696 | CHEMBL372 | = | 6 | null | 0 | Growth of cells | F | N | 1 |
CHEMBL267696 | CHEMBL3879801 | = | 6 | null | 0 | Growth of cells | F | N | 1 |
CHEMBL175312 | CHEMBL612558 | = | 1.065 | null | 0 | Solubility ratio | A | U | 0 |
CHEMBL175312 | CHEMBL612558 | = | 1.104 | null | 0 | Solubility ratio | A | U | 0 |
CHEMBL175312 | CHEMBL612558 | = | 1.206 | null | 0 | Solubility ratio | A | U | 0 |
CHEMBL175312 | CHEMBL612558 | = | 1.396 | null | 0 | Solubility ratio | A | U | 0 |
CHEMBL175312 | CHEMBL612558 | = | 248,400 | ug.mL-1 | 1 | Solubility | A | U | 0 |
CHEMBL175312 | CHEMBL612558 | = | 170,000 | ug.mL-1 | 1 | Solubility | A | U | 0 |
CHEMBL175414 | CHEMBL612558 | = | 1.061 | null | 0 | Solubility ratio | A | U | 0 |
CHEMBL175414 | CHEMBL612558 | = | 1.117 | null | 0 | Solubility ratio | A | U | 0 |
CHEMBL175414 | CHEMBL612558 | = | 1.234 | null | 0 | Solubility ratio | A | U | 0 |
CHEMBL175414 | CHEMBL612558 | = | 1.339 | null | 0 | Solubility ratio | A | U | 0 |
CHEMBL175414 | CHEMBL612558 | = | 238,800 | ug.mL-1 | 1 | Solubility | A | U | 0 |
CHEMBL175414 | CHEMBL612558 | = | 172,900 | ug.mL-1 | 1 | Solubility | A | U | 0 |
CHEMBL307157 | CHEMBL1872 | = | 45 | % | 0 | MP | F | H | 8 |
CHEMBL307157 | CHEMBL1872 | = | 0 | % | 0 | MP | F | H | 8 |
CHEMBL307157 | CHEMBL1872 | = | 0 | % | 0 | DP | F | H | 8 |
CHEMBL307157 | CHEMBL1872 | = | 76 | % | 0 | TP | F | H | 8 |
CHEMBL307157 | CHEMBL1872 | = | 3 | % | 1 | Inhibition | B | H | 8 |
CHEMBL307157 | CHEMBL612545 | = | 14 | % | 1 | Inhibition | B | U | 0 |
CHEMBL307157 | CHEMBL374 | = | 6 | ug ml-1 | 0 | ED50 | F | N | 1 |
CHEMBL307157 | CHEMBL374 | = | 12 | ug ml-1 | 0 | ED50 | F | N | 1 |
CHEMBL279087 | CHEMBL1907607 | = | 120 | nM | 1 | IC50 | B | D | 5 |
CHEMBL279969 | CHEMBL1907607 | = | 1,850 | nM | 1 | IC50 | B | D | 5 |
CHEMBL279969 | CHEMBL376 | = | 50 | mg kg-1 | 0 | MED | F | N | 1 |
CHEMBL20214 | CHEMBL1907607 | = | 34 | nM | 1 | IC50 | B | D | 5 |
CHEMBL20214 | CHEMBL376 | = | 10 | mg kg-1 | 0 | MED | F | N | 1 |
CHEMBL277617 | CHEMBL1907607 | = | 107 | nM | 1 | IC50 | B | D | 5 |
CHEMBL277617 | CHEMBL376 | = | 2 | mg kg-1 | 0 | MED | F | N | 1 |
CHEMBL408689 | CHEMBL376 | < | 0.01 | % | 0 | Activity | F | N | 1 |
CHEMBL408689 | CHEMBL376 | = | 5,011.87 | nM | 1 | Kd | F | N | 1 |
CHEMBL3350133 | CHEMBL2095156 | = | 22 | nM | 1 | IC50 | F | H | 4 |
CHEMBL3350133 | CHEMBL612545 | = | 4 | null | 0 | Potency ratio | B | U | 0 |
CHEMBL3350133 | CHEMBL612545 | = | 2.1 | null | 0 | Ratio | B | U | 0 |
CHEMBL3350133 | CHEMBL4354 | = | 44 | nM | 1 | Ki | B | D | 9 |
CHEMBL3350133 | CHEMBL4354 | = | 4.1 | null | 0 | Relative affinity | B | D | 9 |
CHEMBL3350133 | CHEMBL3952 | = | 590 | nM | 1 | Ki | B | D | 9 |
CHEMBL3350133 | CHEMBL3952 | = | 10.8 | null | 0 | Relative affinity | B | D | 9 |
CHEMBL3350133 | CHEMBL236 | = | 110 | nM | 1 | Ki | B | H | 8 |
CHEMBL3350133 | CHEMBL236 | = | 4.5 | null | 0 | Relative affinity | B | H | 8 |
CHEMBL3350133 | CHEMBL2095181 | = | null | null | 0 | Selectivity ratio | B | H | 4 |
CHEMBL428337 | CHEMBL354 | = | 0 | % | 1 | Inhibition | F | N | 1 |
CHEMBL428337 | CHEMBL354 | = | 21 | % | 1 | Inhibition | F | N | 1 |
CHEMBL428337 | CHEMBL354 | = | 50 | % | 1 | Inhibition | F | N | 1 |
CHEMBL428337 | CHEMBL612545 | = | 20 | % | 1 | Inhibition | B | U | 0 |
CHEMBL428337 | CHEMBL612545 | = | 50 | % | 1 | Inhibition | B | U | 0 |
CHEMBL65 | CHEMBL386 | = | 164 | % | 0 | T/C | F | N | 1 |
CHEMBL65 | CHEMBL386 | = | 2 | mg kg-1 | 0 | Active dose | F | N | 1 |
CHEMBL65 | CHEMBL386 | = | 16 | mg kg-1 | 0 | Toxic dose | F | N | 1 |
CHEMBL15886 | CHEMBL3199 | = | 100,000 | nM | 1 | IC50 | B | D | 9 |
CHEMBL15886 | CHEMBL3199 | = | 170,000 | nM | 1 | IC50 | B | D | 9 |
CHEMBL15886 | CHEMBL376 | = | 0.0661 | null | 0 | Rate constant | A | N | 1 |
CHEMBL15886 | CHEMBL612545 | = | 1.11 | null | 0 | Ratio | F | U | 0 |
CHEMBL63484 | CHEMBL2096984 | = | 1,400,000 | nM | 1 | Ki | B | H | 4 |
CHEMBL63484 | CHEMBL2096984 | = | 11,000 | s-1 | 0 | k3 | B | H | 4 |
CHEMBL294543 | CHEMBL2096984 | = | 2,410,000 | nM | 1 | Ki | B | H | 4 |
CHEMBL294543 | CHEMBL2096984 | = | 5,000 | s-1 | 0 | k3 | B | H | 4 |
CHEMBL66259 | CHEMBL2096984 | = | null | null | 0 | Activity | B | H | 4 |
CHEMBL66259 | CHEMBL248 | = | null | null | 0 | Activity | B | H | 8 |
CHEMBL1202755 | CHEMBL369 | = | 8,000 | nM | 1 | IC50 | F | N | 1 |
CHEMBL1202755 | CHEMBL1835 | = | 1,000 | nM | 1 | IC50 | B | H | 8 |
CHEMBL542565 | CHEMBL386 | = | 870 | nM | 1 | IC50 | F | N | 1 |
CHEMBL542565 | CHEMBL389 | = | 6.25 | mg.kg-1 | 1 | DOSE | F | N | 1 |