molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL517131 |
|
IC50 |
= |
5.0 |
nM |
479.52 |
Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCCCON)[C@@H](O)[C@H]1O.O=S(=O)(O)O |
Homo sapiens |
CHEMBL941183 |
single protein format |
CHEMBL510356 |
OBDepict
OH
S
O
O
HO
NH
2
O
N
H
3
C
H
O
H
OH
H
N
H
HO
CH
3
N
N
N
H
2
N
|
IC50 |
= |
7.0 |
nM |
451.46 |
Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCON)[C@@H](O)[C@H]1O.O=S(=O)(O)O |
Homo sapiens |
CHEMBL941183 |
single protein format |
CHEMBL461970 |
OBDepict
OH
S
O
O
HO
NH
2
O
N
H
3
C
H
O
H
OH
H
N
H
HO
OH
N
N
N
H
2
N
|
IC50 |
= |
11.0 |
nM |
481.49 |
CN(CCCCON)C[C@H]1O[C@@H](n2c(O)nc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=S(=O)(O)O |
Homo sapiens |
CHEMBL941183 |
single protein format |
CHEMBL461779 |
OBDepict
HO
S
O
O
OH
H
2
N
O
N
CH
3
H
O
H
HO
H
N
H
OH
N
N
CH
3
N
NH
2
|
IC50 |
= |
15.0 |
nM |
493.54 |
CCc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCCCON)[C@@H](O)[C@H]1O.O=S(=O)(O)O |
Homo sapiens |
CHEMBL941183 |
single protein format |
CHEMBL516811 |
OBDepict
OH
S
O
O
HO
NH
2
O
N
H
3
C
H
O
H
OH
H
N
H
HO
N
N
N
H
2
N
|
IC50 |
= |
18.0 |
nM |
465.49 |
CN(CCCCON)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=S(=O)(O)O |
Homo sapiens |
CHEMBL941183 |
single protein format |
CHEMBL460719 |
OBDepict
HO
S
O
O
OH
H
2
N
O
N
CH
3
H
O
H
HO
H
N
H
OH
HN
N
N
CH
3
N
NH
2
|
IC50 |
= |
49.0 |
nM |
494.53 |
CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCCCON)[C@@H](O)[C@H]1O.O=S(=O)(O)O |
Homo sapiens |
CHEMBL941183 |
single protein format |
CHEMBL461780 |
OBDepict
NH
2
O
N
H
3
C
H
O
H
OH
H
N
H
HO
N
N
N
H
2
N
|
IC50 |
= |
55.0 |
nM |
339.36 |
CN(CCON)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL941183 |
single protein format |
CHEMBL453372 |
OBDepict
OH
S
O
O
HO
NH
2
O
N
H
3
C
H
O
H
OH
H
N
H
HO
NH
N
N
H
3
C
N
H
2
N
|
IC50 |
= |
86.0 |
nM |
466.48 |
CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCON)[C@@H](O)[C@H]1O.O=S(=O)(O)O |
Homo sapiens |
CHEMBL941183 |
single protein format |
CHEMBL517593 |
OBDepict
NH
2
HN
O
N
CH
3
H
O
H
HO
H
N
H
OH
H
3
C
N
N
N
NH
2
|
IC50 |
= |
170.0 |
nM |
380.41 |
Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCC(=O)NN)[C@@H](O)[C@H]1O |
Homo sapiens |
CHEMBL941183 |
single protein format |
CHEMBL462656 |
OBDepict
CH
3
N
H
O
H
OH
O
NH
2
H
N
H
HO
CH
3
N
N
N
H
2
N
|
IC50 |
= |
400.0 |
nM |
365.39 |
Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCC(N)=O)[C@@H](O)[C@H]1O |
Homo sapiens |
CHEMBL941183 |
single protein format |
CHEMBL516214 |
OBDepict
CH
3
N
H
3
C
H
O
H
OH
H
N
H
HO
CH
3
N
N
N
H
2
N
|
IC50 |
= |
600.0 |
nM |
308.34 |
Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)C)[C@@H](O)[C@H]1O |
Homo sapiens |
CHEMBL941183 |
single protein format |