molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3398243 |
|
IC50 |
= |
10.0 |
nM |
304.43 |
FC(F)(F)c1ccc2c(c1)SSSSS2 |
Homo sapiens |
CHEMBL3398878 |
single protein format |
CHEMBL3398246 |
OBDepict
O
NH
F
F
F
S
S
S
F
F
F
S
S
|
IC50 |
= |
24.0 |
nM |
415.45 |
O=C(Nc1cc(C(F)(F)F)cc2c1SSSSS2)C(F)(F)F |
Homo sapiens |
CHEMBL3398878 |
single protein format |
CHEMBL3398242 |
OBDepict
NH
2
S
S
S
F
F
F
S
S
ClH
|
IC50 |
= |
24.6 |
nM |
355.91 |
Cl.Nc1cc(C(F)(F)F)cc2c1SSSSS2 |
Homo sapiens |
CHEMBL3398878 |
single protein format |
CHEMBL3398244 |
OBDepict
CH
3
S
NH
2
S
S
S
S
ClH
|
IC50 |
= |
25.0 |
nM |
301.94 |
Cc1cc(N)c2c(c1)SSSSS2.Cl |
Homo sapiens |
CHEMBL3398878 |
single protein format |
CHEMBL3398245 |
OBDepict
NH
2
S
S
S
S
S
ClH
|
IC50 |
= |
32.0 |
nM |
287.91 |
Cl.Nc1cccc2c1SSSSS2 |
Homo sapiens |
CHEMBL3398878 |
single protein format |
CHEMBL3398250 |
OBDepict
NH
2
S
S
S
F
F
F
S
S
S
NH
2
F
F
F
ClH
ClH
|
IC50 |
= |
33.0 |
nM |
583.54 |
Cl.Cl.Nc1cc(C(F)(F)F)cc2c1SSSc1cc(C(F)(F)F)cc(N)c1SSS2 |
Homo sapiens |
CHEMBL3398878 |
single protein format |
CHEMBL3398247 |
OBDepict
CH
3
NH
O
S
S
S
F
F
F
S
S
|
IC50 |
= |
49.0 |
nM |
361.48 |
CC(=O)Nc1cc(C(F)(F)F)cc2c1SSSSS2 |
Homo sapiens |
CHEMBL3398878 |
single protein format |
CHEMBL3398248 |
OBDepict
H
3
C
NH
S
S
S
F
F
F
S
S
|
IC50 |
= |
59.0 |
nM |
347.5 |
CCNc1cc(C(F)(F)F)cc2c1SSSSS2 |
Homo sapiens |
CHEMBL3398878 |
single protein format |
CHEMBL3398249 |
OBDepict
F
F
F
N
H
S
S
S
S
S
|
IC50 |
= |
78.0 |
nM |
409.57 |
FC(F)(F)c1cc(NCc2ccccc2)c2c(c1)SSSSS2 |
Homo sapiens |
CHEMBL3398878 |
single protein format |
CHEMBL3398243 |
OBDepict
F
F
F
S
S
S
S
S
|
Ki |
= |
109.0 |
nM |
304.43 |
FC(F)(F)c1ccc2c(c1)SSSSS2 |
Homo sapiens |
CHEMBL3398881 |
single protein format |
CHEMBL3398242 |
OBDepict
NH
2
S
S
S
F
F
F
S
S
ClH
|
Ki |
= |
115.0 |
nM |
355.91 |
Cl.Nc1cc(C(F)(F)F)cc2c1SSSSS2 |
Homo sapiens |
CHEMBL3398881 |
single protein format |
CHEMBL3398244 |
OBDepict
CH
3
S
NH
2
S
S
S
S
ClH
|
Ki |
= |
116.0 |
nM |
301.94 |
Cc1cc(N)c2c(c1)SSSSS2.Cl |
Homo sapiens |
CHEMBL3398881 |
single protein format |
CHEMBL3398247 |
OBDepict
CH
3
NH
O
S
S
S
F
F
F
S
S
|
Ki |
= |
123.0 |
nM |
361.48 |
CC(=O)Nc1cc(C(F)(F)F)cc2c1SSSSS2 |
Homo sapiens |
CHEMBL3398881 |
single protein format |
CHEMBL3398250 |
OBDepict
NH
2
S
S
S
F
F
F
S
S
S
NH
2
F
F
F
ClH
ClH
|
Ki |
= |
124.0 |
nM |
583.54 |
Cl.Cl.Nc1cc(C(F)(F)F)cc2c1SSSc1cc(C(F)(F)F)cc(N)c1SSS2 |
Homo sapiens |
CHEMBL3398881 |
single protein format |
CHEMBL3398251 |
OBDepict
_
O
+
N
O
S
S
S
F
F
F
|
IC50 |
= |
145.0 |
nM |
285.29 |
O=[N+]([O-])c1cc(C(F)(F)F)cc2c1SSS2 |
Homo sapiens |
CHEMBL3398878 |
single protein format |
CHEMBL3398249 |
OBDepict
F
F
F
N
H
S
S
S
S
S
|
Ki |
= |
175.0 |
nM |
409.57 |
FC(F)(F)c1cc(NCc2ccccc2)c2c(c1)SSSSS2 |
Homo sapiens |
CHEMBL3398881 |
single protein format |
CHEMBL3398245 |
OBDepict
NH
2
S
S
S
S
S
ClH
|
Ki |
= |
183.0 |
nM |
287.91 |
Cl.Nc1cccc2c1SSSSS2 |
Homo sapiens |
CHEMBL3398881 |
single protein format |
CHEMBL3398251 |
OBDepict
_
O
+
N
O
S
S
S
F
F
F
|
Ki |
= |
210.0 |
nM |
285.29 |
O=[N+]([O-])c1cc(C(F)(F)F)cc2c1SSS2 |
Homo sapiens |
CHEMBL3398881 |
single protein format |
CHEMBL3398248 |
OBDepict
H
3
C
NH
S
S
S
F
F
F
S
S
|
Ki |
= |
230.0 |
nM |
347.5 |
CCNc1cc(C(F)(F)F)cc2c1SSSSS2 |
Homo sapiens |
CHEMBL3398881 |
single protein format |
CHEMBL3398246 |
OBDepict
O
NH
F
F
F
S
S
S
F
F
F
S
S
|
Ki |
= |
235.0 |
nM |
415.45 |
O=C(Nc1cc(C(F)(F)F)cc2c1SSSSS2)C(F)(F)F |
Homo sapiens |
CHEMBL3398881 |
single protein format |
CHEMBL4092589 |
OBDepict
F
Cl
Cl
Cl
P
F
O
OH
HO
O
|
Ki |
= |
540.0 |
nM |
581.77 |
O=C(c1ccccc1)C(F)(c1ccc(-c2cccc(Cc3cc(Cl)c(Cl)cc3Cl)c2F)cc1)P(=O)(O)O |
Homo sapiens |
CHEMBL4032254 |
single protein format |
CHEMBL4070970 |
OBDepict
O
P
F
O
OH
HO
F
Cl
Cl
Cl
|
Ki |
= |
1000.0 |
nM |
587.81 |
O=C(C1CCCCC1)C(F)(c1ccc(-c2cccc(Cc3cc(Cl)c(Cl)cc3Cl)c2F)cc1)P(=O)(O)O |
Homo sapiens |
CHEMBL4032254 |
single protein format |