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
|
|---|---|---|---|---|---|---|---|---|---|
CHEMBL5218813 | CHEMBL2362975 | >= | 115 | ug.mL-1 | 1 | Solubility | P | U | 0 |
CHEMBL5219194 | CHEMBL2362975 | >= | 99 | ug.mL-1 | 1 | Solubility | P | U | 0 |
CHEMBL5221069 | CHEMBL2362975 | >= | 131 | ug.mL-1 | 1 | Solubility | P | U | 0 |
CHEMBL5220494 | CHEMBL2362975 | >= | 135 | ug.mL-1 | 1 | Solubility | P | U | 0 |
CHEMBL5218817 | CHEMBL2362975 | = | 117 | ug.mL-1 | 1 | Solubility | P | U | 0 |
CHEMBL5218641 | CHEMBL2362975 | >= | 65 | ug.mL-1 | 1 | Solubility | P | U | 0 |
CHEMBL5219538 | CHEMBL2362975 | >= | 185 | ug.mL-1 | 1 | Solubility | P | U | 0 |
CHEMBL5219919 | CHEMBL2362975 | >= | 208 | ug.mL-1 | 1 | Solubility | P | U | 0 |
CHEMBL5220623 | CHEMBL2362975 | > | 1,000 | ug.mL-1 | 1 | Solubility | P | U | 0 |
CHEMBL5218726 | CHEMBL2362975 | > | 1,000 | ug.mL-1 | 1 | Solubility | P | U | 0 |
CHEMBL5220128 | CHEMBL2362975 | = | 417 | ug.mL-1 | 1 | Solubility | P | U | 0 |
CHEMBL5218909 | CHEMBL2362975 | > | 1,000 | ug.mL-1 | 1 | Solubility | P | U | 0 |
CHEMBL5219602 | CHEMBL2362975 | > | 1,000 | ug.mL-1 | 1 | Solubility | P | U | 0 |
CHEMBL5220623 | CHEMBL612558 | = | 6.35 | mL.min-1.g-1 | 1 | CL | A | U | 0 |
CHEMBL5220077 | CHEMBL612558 | = | 23.76 | mL.min-1.g-1 | 1 | CL | A | U | 0 |
CHEMBL5219077 | CHEMBL612558 | = | 1.18 | mL.min-1.g-1 | 1 | CL | A | U | 0 |
CHEMBL5218822 | CHEMBL612558 | = | 2.44 | mL.min-1.g-1 | 1 | CL | A | U | 0 |
CHEMBL5219991 | CHEMBL612558 | = | 72.36 | mL.min-1.g-1 | 1 | CL | A | U | 0 |
CHEMBL5218726 | CHEMBL612558 | < | 0.8 | mL.min-1.g-1 | 1 | CL | A | U | 0 |
CHEMBL5220128 | CHEMBL612558 | < | 0.8 | mL.min-1.g-1 | 1 | CL | A | U | 0 |
CHEMBL5218909 | CHEMBL612558 | < | 0.8 | mL.min-1.g-1 | 1 | CL | A | U | 0 |
CHEMBL5219602 | CHEMBL612558 | < | 0.8 | mL.min-1.g-1 | 1 | CL | A | U | 0 |
CHEMBL5220623 | CHEMBL612558 | = | 2.64 | mL.min-1.g-1 | 1 | CL | A | U | 0 |
CHEMBL5220077 | CHEMBL612558 | = | 3.37 | mL.min-1.g-1 | 1 | CL | A | U | 0 |
CHEMBL5219077 | CHEMBL612558 | = | 0.77 | mL.min-1.g-1 | 1 | CL | A | U | 0 |
CHEMBL5218822 | CHEMBL612558 | < | 0.65 | mL.min-1.g-1 | 1 | CL | A | U | 0 |
CHEMBL5219991 | CHEMBL612558 | < | 0.65 | mL.min-1.g-1 | 1 | CL | A | U | 0 |
CHEMBL5218726 | CHEMBL612558 | < | 0.65 | mL.min-1.g-1 | 1 | CL | A | U | 0 |
CHEMBL5218909 | CHEMBL612558 | = | 1.12 | mL.min-1.g-1 | 1 | CL | A | U | 0 |
CHEMBL5219602 | CHEMBL612558 | < | 0.65 | mL.min-1.g-1 | 1 | CL | A | U | 0 |
CHEMBL5220623 | CHEMBL612558 | < | 0.45 | mL.min-1.g-1 | 1 | CL | A | U | 0 |
CHEMBL5220077 | CHEMBL612558 | < | 0.45 | mL.min-1.g-1 | 1 | CL | A | U | 0 |
CHEMBL5219077 | CHEMBL612558 | < | 0.45 | mL.min-1.g-1 | 1 | CL | A | U | 0 |
CHEMBL5218822 | CHEMBL612558 | < | 0.45 | mL.min-1.g-1 | 1 | CL | A | U | 0 |
CHEMBL5219991 | CHEMBL612558 | = | 9.14 | mL.min-1.g-1 | 1 | CL | A | U | 0 |
CHEMBL5218726 | CHEMBL612558 | = | 0.52 | mL.min-1.g-1 | 1 | CL | A | U | 0 |
CHEMBL5220128 | CHEMBL612558 | < | 0.45 | mL.min-1.g-1 | 1 | CL | A | U | 0 |
CHEMBL5218909 | CHEMBL612558 | < | 0.45 | mL.min-1.g-1 | 1 | CL | A | U | 0 |
CHEMBL5219602 | CHEMBL612558 | < | 0.45 | mL.min-1.g-1 | 1 | CL | A | U | 0 |
CHEMBL5218726 | CHEMBL612558 | = | 43 | mL.min-1.kg-1 | 1 | CL | A | U | 0 |
CHEMBL5218909 | CHEMBL612558 | = | 19 | mL.min-1.kg-1 | 1 | CL | A | U | 0 |
CHEMBL5218726 | CHEMBL612558 | = | 75 | mL.min-1.kg-1 | 1 | CL | A | U | 0 |
CHEMBL5218909 | CHEMBL612558 | = | 31 | mL.min-1.kg-1 | 1 | CL | A | U | 0 |
CHEMBL5218726 | CHEMBL612558 | = | 1 | L.kg-1 | 1 | Vdss | A | U | 0 |
CHEMBL5218909 | CHEMBL612558 | = | 1.1 | L.kg-1 | 1 | Vdss | A | U | 0 |
CHEMBL5218726 | CHEMBL612558 | = | 1.8 | L.kg-1 | 1 | Vdss | A | U | 0 |
CHEMBL5218909 | CHEMBL612558 | = | 1.8 | L.kg-1 | 1 | Vdss | A | U | 0 |
CHEMBL5218726 | CHEMBL612558 | = | 0.41 | hr | 1 | T1/2 | A | U | 0 |
CHEMBL5218909 | CHEMBL612558 | = | 0.97 | hr | 1 | T1/2 | A | U | 0 |
CHEMBL5218726 | CHEMBL612558 | = | 19 | % | 1 | F | A | U | 0 |
CHEMBL5218909 | CHEMBL612558 | = | 66 | % | 1 | F | A | U | 0 |
CHEMBL5218909 | CHEMBL612558 | = | 0.0061 | null | 1 | Fu | A | U | 0 |
CHEMBL5220128 | CHEMBL612558 | = | 37 | mL.min-1.kg-1 | 1 | CL | A | U | 0 |
CHEMBL5220128 | CHEMBL612558 | = | 1.5 | L.kg-1 | 1 | Vdss | A | U | 0 |
CHEMBL5220128 | CHEMBL612558 | = | 0.76 | hr | 1 | T1/2 | A | U | 0 |
CHEMBL5220128 | CHEMBL612558 | = | 13 | % | 1 | F | A | U | 0 |
CHEMBL5219602 | CHEMBL612558 | = | 26 | mL.min-1.kg-1 | 1 | CL | A | U | 0 |
CHEMBL5219602 | CHEMBL612558 | = | 38 | mL.min-1.kg-1 | 1 | CL | A | U | 0 |
CHEMBL5219602 | CHEMBL612558 | = | 1.3 | L.kg-1 | 1 | Vdss | A | U | 0 |
CHEMBL5219602 | CHEMBL612558 | = | 1.9 | L.kg-1 | 1 | Vdss | A | U | 0 |
CHEMBL5219602 | CHEMBL612558 | = | 0.74 | hr | 1 | T1/2 | A | U | 0 |
CHEMBL5219602 | CHEMBL612558 | = | 67 | % | 1 | F | A | U | 0 |
CHEMBL5218909 | CHEMBL612558 | = | 45 | mL.min-1.kg-1 | 1 | CL | A | U | 0 |
CHEMBL5218909 | CHEMBL612558 | = | 87 | mL.min-1.kg-1 | 1 | CL | A | U | 0 |
CHEMBL5218909 | CHEMBL612558 | = | 1.7 | L.kg-1 | 1 | Vdss | A | U | 0 |
CHEMBL5218909 | CHEMBL612558 | = | 3.3 | L.kg-1 | 1 | Vdss | A | U | 0 |
CHEMBL5218909 | CHEMBL612558 | = | 0.5 | hr | 1 | T1/2 | A | U | 0 |
CHEMBL5218909 | CHEMBL612558 | = | 39 | % | 1 | F | A | U | 0 |
CHEMBL5219602 | CHEMBL612558 | = | 79 | % | 1 | F | A | U | 0 |
CHEMBL5219602 | CHEMBL612558 | = | 28 | mL.min-1.kg-1 | 1 | CL | A | U | 0 |
CHEMBL5219602 | CHEMBL612558 | = | 60 | mL.min-1.kg-1 | 1 | CL | A | U | 0 |
CHEMBL5219602 | CHEMBL612558 | = | 2.7 | L.kg-1 | 1 | Vdss | A | U | 0 |
CHEMBL5219602 | CHEMBL612558 | = | 5.7 | L.kg-1 | 1 | Vdss | A | U | 0 |
CHEMBL5219602 | CHEMBL612558 | = | 1.4 | hr | 1 | T1/2 | A | U | 0 |
CHEMBL5219602 | CHEMBL612558 | > | 1,000 | hr | 1 | T1/2 | A | U | 0 |
CHEMBL5219602 | CHEMBL3108638 | = | 1,258.93 | nM | 1 | Kd | B | D | 9 |
CHEMBL5219602 | CHEMBL612558 | = | 0.0068 | null | 1 | Fu | A | U | 0 |
CHEMBL5218909 | CHEMBL612558 | = | 0.0052 | null | 1 | Fu | A | U | 0 |
CHEMBL5219602 | CHEMBL612558 | = | 0.0047 | null | 1 | Fu | A | U | 0 |
CHEMBL5220671 | CHEMBL4715675 | = | 3.3 | null | 0 | FC | F | N | 1 |
CHEMBL5220293 | CHEMBL4715675 | = | 3.3 | null | 0 | FC | F | N | 1 |
CHEMBL5220674 | CHEMBL4715675 | = | 3.3 | null | 0 | FC | F | N | 1 |
CHEMBL5220518 | CHEMBL4715675 | = | 5.2 | null | 0 | FC | F | N | 1 |
CHEMBL5220054 | CHEMBL4715675 | = | 4.2 | null | 0 | FC | F | N | 1 |
CHEMBL5221056 | CHEMBL4715675 | = | 4.2 | null | 0 | FC | F | N | 1 |
CHEMBL5219234 | CHEMBL614245 | null | null | null | 0 | Activity | T | N | 1 |
CHEMBL5219234 | CHEMBL395 | null | null | null | 0 | Activity | T | N | 1 |
CHEMBL5219234 | CHEMBL612545 | null | null | % | 0 | Inhibition | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | % | 0 | Inhibition | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | % | 0 | Inhibition | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | % | 0 | Inhibition | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | % | 0 | Inhibition | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | % | 0 | Inhibition | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | % | 0 | Inhibition | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | % | 0 | Inhibition | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | % | 0 | Inhibition | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | % | 0 | Inhibition | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | % | 0 | Inhibition | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | % | 0 | Inhibition | F | U | 0 |
CHEMBL5219234 | CHEMBL612545 | null | null | % | 0 | Inhibition | F | U | 0 |