molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL1890408 |
|
IC50 |
= |
0.47 |
nM |
406.93 |
O=S1OC[C@@H]2[C@H](CO1)[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl |
Homo sapiens |
CHEMBL3073472 |
single protein format |
CHEMBL235623 |
OBDepict
H
3
C
N
N
N
Cl
Cl
Cl
F
F
F
|
Ki |
= |
0.659 |
nM |
372.61 |
CCCc1nnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1CCl |
Homo sapiens |
CHEMBL898326 |
cell-based format |
CHEMBL15891 |
OBDepict
H
Cl
H
Cl
H
Cl
H
Cl
H
Cl
H
Cl
|
IC50 |
= |
0.9 |
nM |
290.83 |
Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl |
Homo sapiens |
CHEMBL3073472 |
single protein format |
CHEMBL236471 |
OBDepict
H
3
C
N
N
CH
3
N
Cl
Cl
F
F
F
|
Ki |
= |
1.94 |
nM |
338.16 |
CCCc1nnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1C |
Homo sapiens |
CHEMBL898326 |
cell-based format |
CHEMBL395136 |
OBDepict
H
3
C
N
N
N
OH
Cl
Cl
F
F
F
|
Ki |
= |
2.53 |
nM |
354.16 |
CCCc1nnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1CO |
Homo sapiens |
CHEMBL898326 |
cell-based format |
CHEMBL392036 |
OBDepict
CH
3
N
N
N
CH
3
Cl
Cl
F
F
F
|
Ki |
= |
4.27 |
nM |
338.16 |
CCc1nnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1CC |
Homo sapiens |
CHEMBL898326 |
cell-based format |
CHEMBL392035 |
OBDepict
CH
3
N
N
H
3
C
N
Cl
Cl
F
F
F
|
Ki |
= |
7.08 |
nM |
324.13 |
CCc1nnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1C |
Homo sapiens |
CHEMBL898326 |
cell-based format |
CHEMBL236671 |
OBDepict
H
3
C
N
N
N
CH
3
Cl
Cl
F
F
F
|
Ki |
= |
8.07 |
nM |
352.19 |
CCCc1nnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1CC |
Homo sapiens |
CHEMBL898326 |
cell-based format |
CHEMBL396305 |
OBDepict
H
3
C
N
N
CH
3
N
Br
Br
F
F
F
|
Ki |
= |
13.6 |
nM |
427.06 |
CCCc1nnn(-c2c(Br)cc(C(F)(F)F)cc2Br)c1C |
Homo sapiens |
CHEMBL898326 |
cell-based format |
CHEMBL101326 |
OBDepict
N
N
N
+
S
H
2
N
_
O
F
F
F
Cl
Cl
F
F
F
|
IC50 |
= |
28.0 |
nM |
437.15 |
N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+]([O-])C(F)(F)F |
Homo sapiens |
CHEMBL683058 |
single protein format |
CHEMBL329306 |
OBDepict
Cl
N
Cl
N
F
F
F
N
N
F
F
F
|
IC50 |
= |
28.0 |
nM |
389.09 |
FC(F)(F)c1cc(Cl)c(-n2cc(C3(C(F)(F)F)N=N3)cn2)c(Cl)c1 |
Homo sapiens |
CHEMBL683058 |
single protein format |
CHEMBL235405 |
OBDepict
H
3
C
N
N
N
H
3
C
Cl
Cl
F
F
F
|
Ki |
= |
47.2 |
nM |
352.19 |
CCCc1c(CC)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl |
Homo sapiens |
CHEMBL898326 |
cell-based format |
CHEMBL395137 |
OBDepict
H
3
C
N
N
N
Cl
Cl
Cl
F
F
F
|
Ki |
= |
66.7 |
nM |
372.61 |
CCCc1c(CCl)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl |
Homo sapiens |
CHEMBL898326 |
cell-based format |
CHEMBL236470 |
OBDepict
CH
3
N
CH
3
N
N
Cl
Cl
F
F
F
|
Ki |
= |
70.1 |
nM |
324.13 |
CCc1c(C)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl |
Homo sapiens |
CHEMBL898326 |
cell-based format |
CHEMBL235406 |
OBDepict
CH
3
N
N
N
H
3
C
Cl
Cl
F
F
F
|
Ki |
= |
128.0 |
nM |
366.21 |
CCCc1nnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1CCC |
Homo sapiens |
CHEMBL898326 |
cell-based format |
CHEMBL428023 |
OBDepict
H
3
C
N
CH
3
N
N
Cl
Cl
F
F
F
|
Ki |
= |
539.0 |
nM |
338.16 |
CCCc1c(C)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl |
Homo sapiens |
CHEMBL898326 |
cell-based format |