molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3647441 |
|
IC50 |
= |
1.1 |
nM |
522.61 |
Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1C[C@@](O)(CCC(F)(F)F)CC[C@@]21Cc1ccccc1 |
Homo sapiens |
CHEMBL3705674 |
single protein format |
CHEMBL3647443 |
OBDepict
O
N
H
H
3
C
N
O
H
HO
F
F
F
|
IC50 |
= |
1.1 |
nM |
508.54 |
Cc1ncccc1NC(=O)c1ccc2c(c1)C(=O)C[C@@H]1C[C@@](O)(C(F)(F)F)CC[C@@]21Cc1ccccc1 |
Homo sapiens |
CHEMBL3705674 |
single protein format |
CHEMBL3647442 |
OBDepict
O
NH
N
CH
3
H
OH
F
F
F
|
IC50 |
= |
1.3 |
nM |
494.56 |
Cc1ccncc1NC(=O)c1ccc2c(c1)CC[C@@H]1C[C@@](O)(C(F)(F)F)CC[C@@]21Cc1ccccc1 |
Homo sapiens |
CHEMBL3705674 |
single protein format |
CHEMBL3647445 |
OBDepict
O
N
H
CH
3
+
N
_
O
H
OH
F
F
F
|
IC50 |
= |
2.1 |
nM |
510.56 |
Cc1c(NC(=O)c2ccc3c(c2)CC[C@@H]2C[C@@](O)(C(F)(F)F)CC[C@@]32Cc2ccccc2)ccc[n+]1[O-] |
Homo sapiens |
CHEMBL3705674 |
single protein format |
CHEMBL3647447 |
OBDepict
O
NH
CH
3
N
H
OH
F
F
F
|
IC50 |
= |
2.8 |
nM |
492.54 |
Cc1ncccc1NC(=O)c1ccc2c(c1)C=C[C@@H]1C[C@@](O)(C(F)(F)F)CC[C@@]21Cc1ccccc1 |
Homo sapiens |
CHEMBL3705674 |
single protein format |
CHEMBL3647440 |
OBDepict
CH
3
N
N
CH
3
N
H
O
H
HO
F
F
F
|
IC50 |
= |
4.0 |
nM |
509.57 |
Cc1cnc(NC(=O)c2ccc3c(c2)CC[C@@H]2C[C@@](O)(C(F)(F)F)CC[C@@]32Cc2ccccc2)c(C)n1 |
Homo sapiens |
CHEMBL3705674 |
single protein format |
CHEMBL131 |
OBDepict
HO
O
OH
CH
3
H
H
OH
H
H
CH
3
O
|
IC50 |
= |
4.2 |
nM |
360.45 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO |
Homo sapiens |
CHEMBL3705674 |
single protein format |
CHEMBL3647446 |
OBDepict
O
N
H
CH
3
N
H
OH
F
F
|
IC50 |
= |
4.3 |
nM |
476.57 |
Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1C[C@@](O)(C(F)F)CC[C@@]21Cc1ccccc1 |
Homo sapiens |
CHEMBL3705674 |
single protein format |
CHEMBL3647444 |
OBDepict
O
N
H
CH
3
N
H
OH
H
OH
F
F
F
|
IC50 |
= |
7.0 |
nM |
510.56 |
Cc1ncccc1NC(=O)c1ccc2c(c1)[C@H](O)C[C@@H]1C[C@@](O)(C(F)(F)F)CC[C@@]21Cc1ccccc1 |
Homo sapiens |
CHEMBL3705674 |
single protein format |
CHEMBL3137316 |
OBDepict
O
N
H
H
3
C
N
H
O
P
F
F
F
O
OH
HO
|
IC50 |
= |
60.0 |
nM |
574.54 |
Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1C[C@@](OP(=O)(O)O)(C(F)(F)F)CC[C@@]21Cc1ccccc1 |
Homo sapiens |
CHEMBL3705674 |
single protein format |
CHEMBL273019 |
OBDepict
H
3
C
O
HO
OH
H
O
O
O
H
H
H
HO
OH
H
OH
|
IC50 |
= |
208.0 |
nM |
328.27 |
COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O |
Homo sapiens |
CHEMBL4046839 |
single protein format |
CHEMBL3647448 |
OBDepict
CH
3
N
N
CH
3
NH
O
H
HO
F
F
F
|
IC50 |
= |
291.0 |
nM |
537.63 |
Cc1ncc(NC(=O)c2ccc3c(c2)CC[C@@H]2C[C@@](O)(CCC(F)(F)F)CC[C@@]32Cc2ccccc2)c(C)n1 |
Homo sapiens |
CHEMBL3705674 |
single protein format |