molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3666849 |
|
IC50 |
= |
20.37 |
nM |
390.34 |
O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1)c1ccncc1F |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666859 |
OBDepict
O
N
H
N
CH
3
O
F
N
N
F
F
F
|
IC50 |
= |
20.79 |
nM |
394.33 |
Cc1oncc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666871 |
OBDepict
O
N
H
CH
3
N
N
N
F
F
F
|
IC50 |
= |
22.96 |
nM |
386.38 |
Cc1ccccc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666861 |
OBDepict
F
N
N
H
N
O
F
F
F
F
F
|
IC50 |
= |
32.59 |
nM |
425.33 |
O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1)c1cccc(F)c1F |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666854 |
OBDepict
O
HN
S
H
3
C
N
N
N
F
F
F
|
IC50 |
= |
34.11 |
nM |
392.41 |
Cc1ncsc1NC(=O)c1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666857 |
OBDepict
O
N
H
S
N
CH
3
N
F
N
N
F
F
F
|
IC50 |
= |
35.72 |
nM |
411.38 |
Cc1nnsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666830 |
OBDepict
O
N
H
CH
3
N
N
|
IC50 |
= |
36.35 |
nM |
357.46 |
Cc1ccccc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666877 |
OBDepict
O
N
H
F
N
N
N
N
F
F
F
|
IC50 |
= |
37.58 |
nM |
391.33 |
O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1ccncc1F |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666875 |
OBDepict
O
N
H
N
N
N
N
F
F
F
|
IC50 |
= |
47.21 |
nM |
373.34 |
O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1cccnc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666852 |
OBDepict
H
3
C
N
S
N
H
N
N
F
F
F
|
IC50 |
= |
48.02 |
nM |
378.42 |
Cc1ncsc1CNc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666858 |
OBDepict
O
N
H
S
CH
3
N
F
N
N
F
F
F
|
IC50 |
= |
48.17 |
nM |
410.4 |
Cc1ncsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666851 |
OBDepict
O
N
H
N
N
N
F
F
F
|
IC50 |
= |
48.22 |
nM |
386.38 |
O=C(Cc1cccnc1)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666874 |
OBDepict
O
N
H
F
F
N
N
N
F
F
F
|
IC50 |
= |
50.58 |
nM |
408.33 |
O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1c(F)cccc1F |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666881 |
OBDepict
O
N
H
S
H
3
C
N
N
N
F
F
F
F
F
|
IC50 |
= |
52.62 |
nM |
402.35 |
Cc1ncsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)F)cc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666872 |
OBDepict
O
N
H
F
N
N
N
F
F
F
|
IC50 |
= |
60.0 |
nM |
390.34 |
O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1ccccc1F |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3639657 |
OBDepict
O
N
H
S
N
CH
3
N
F
N
N
|
IC50 |
= |
60.31 |
nM |
383.45 |
Cc1nnsc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)c(F)c1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666827 |
OBDepict
O
N
H
S
N
H
3
C
N
N
N
|
IC50 |
= |
62.44 |
nM |
365.46 |
Cc1nnsc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666876 |
OBDepict
O
N
H
N
N
N
N
F
F
F
|
IC50 |
= |
62.56 |
nM |
373.34 |
O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1ccncc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666845 |
OBDepict
O
N
H
N
CH
3
O
N
N
F
F
F
|
IC50 |
= |
63.17 |
nM |
376.34 |
Cc1oncc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666842 |
OBDepict
O
N
H
Cl
Cl
N
N
N
F
F
F
|
IC50 |
= |
65.49 |
nM |
441.24 |
O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1)c1c(Cl)cncc1Cl |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666873 |
OBDepict
O
N
H
F
F
N
N
N
F
F
F
|
IC50 |
= |
70.32 |
nM |
408.33 |
O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1cccc(F)c1F |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666844 |
OBDepict
O
N
H
S
CH
3
N
N
N
F
F
F
|
IC50 |
= |
72.03 |
nM |
392.41 |
Cc1ncsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666878 |
OBDepict
O
N
H
N
F
F
N
N
F
F
F
|
IC50 |
= |
72.11 |
nM |
408.33 |
O=C(Nc1c(F)cccc1F)c1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666867 |
OBDepict
F
N
N
H
N
O
F
F
F
N
CH
3
N
|
IC50 |
= |
81.25 |
nM |
405.36 |
Cc1ncncc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666862 |
OBDepict
F
N
N
H
N
O
F
F
F
F
F
|
IC50 |
= |
98.58 |
nM |
425.33 |
O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1)c1c(F)cccc1F |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666869 |
OBDepict
O
N
H
F
F
F
N
N
F
F
F
|
IC50 |
= |
99.71 |
nM |
425.33 |
O=C(Nc1c(F)cccc1F)c1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666847 |
OBDepict
O
N
H
CH
3
N
N
F
F
F
|
IC50 |
= |
119.7 |
nM |
385.39 |
Cc1ccccc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666855 |
OBDepict
O
N
H
F
F
N
N
F
F
F
|
IC50 |
= |
123.8 |
nM |
407.34 |
O=C(Nc1c(F)cccc1F)c1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666846 |
OBDepict
O
N
H
H
3
C
N
H
3
C
O
N
N
F
F
F
|
IC50 |
= |
124.5 |
nM |
390.37 |
Cc1noc(C)c1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666833 |
OBDepict
O
N
H
Cl
Cl
N
N
N
|
IC50 |
= |
129.6 |
nM |
413.31 |
O=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1)c1c(Cl)cncc1Cl |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666831 |
OBDepict
O
N
H
N
N
N
|
IC50 |
= |
141.3 |
nM |
344.42 |
O=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1)c1ccncc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666836 |
OBDepict
F
N
N
H
N
O
F
F
|
IC50 |
= |
145.1 |
nM |
397.4 |
O=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)c(F)c1)c1c(F)cccc1F |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666860 |
OBDepict
F
N
N
H
N
O
F
F
F
CH
3
|
IC50 |
= |
147.2 |
nM |
403.38 |
Cc1ccccc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666870 |
OBDepict
O
N
H
S
N
CH
3
N
N
N
N
F
F
F
|
IC50 |
= |
149.6 |
nM |
394.38 |
Cc1nnsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666865 |
OBDepict
F
N
N
H
N
O
F
F
F
F
N
|
IC50 |
= |
159.1 |
nM |
408.33 |
O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1)c1ccncc1F |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666866 |
OBDepict
F
N
N
H
N
O
F
F
F
Cl
Cl
N
|
IC50 |
= |
159.3 |
nM |
459.23 |
O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1)c1c(Cl)cncc1Cl |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666839 |
OBDepict
O
N
H
S
N
CH
3
N
F
N
N
Cl
|
IC50 |
= |
181.1 |
nM |
417.9 |
Cc1nnsc1C(=O)Nc1ccc(-n2nc(C3CC3)c(Cl)c2C2CC2)c(F)c1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666843 |
OBDepict
O
N
H
S
N
CH
3
N
N
N
F
F
F
|
IC50 |
= |
183.6 |
nM |
393.39 |
Cc1nnsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666837 |
OBDepict
F
N
N
H
N
O
N
|
IC50 |
= |
184.6 |
nM |
362.41 |
O=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)c(F)c1)c1ccncc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666856 |
OBDepict
O
N
H
S
H
3
C
N
N
N
Cl
F
F
F
|
IC50 |
= |
194.0 |
nM |
426.85 |
Cc1ncsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)c(Cl)c2C2CC2)cc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666863 |
OBDepict
F
N
N
H
N
O
F
F
F
N
|
IC50 |
= |
205.7 |
nM |
390.34 |
O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1)c1cccnc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666828 |
OBDepict
O
N
H
S
H
3
C
N
N
N
|
IC50 |
= |
206.7 |
nM |
364.47 |
Cc1ncsc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666838 |
OBDepict
F
N
N
H
N
O
N
CH
3
N
|
IC50 |
= |
223.5 |
nM |
377.42 |
Cc1ncncc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)c(F)c1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666864 |
OBDepict
F
N
N
H
N
O
F
F
F
N
|
IC50 |
= |
232.0 |
nM |
390.34 |
O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1)c1ccncc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666832 |
OBDepict
O
N
H
F
N
N
N
|
IC50 |
= |
243.9 |
nM |
362.41 |
O=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1)c1ccncc1F |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666848 |
OBDepict
O
N
H
N
N
N
F
F
F
|
IC50 |
= |
254.7 |
nM |
372.35 |
O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1)c1ccncc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666829 |
OBDepict
O
N
H
N
H
3
C
O
N
N
|
IC50 |
= |
256.1 |
nM |
348.41 |
Cc1oncc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666853 |
OBDepict
O
HN
N
H
S
H
3
C
N
N
N
F
F
F
|
IC50 |
= |
269.0 |
nM |
407.42 |
Cc1ncsc1NC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666879 |
OBDepict
O
N
H
F
F
N
N
N
N
F
F
F
|
IC50 |
= |
295.4 |
nM |
409.32 |
O=C(Nc1cnc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1c(F)cccc1F |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666880 |
OBDepict
F
N
N
F
F
F
N
H
O
S
CH
3
N
|
IC50 |
= |
373.4 |
nM |
384.36 |
Cc1ncsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2CF)cc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666841 |
OBDepict
O
N
H
F
F
N
N
N
|
IC50 |
= |
436.1 |
nM |
380.4 |
O=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)nc1)c1c(F)cccc1F |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666834 |
OBDepict
O
N
H
N
N
|
IC50 |
= |
456.6 |
nM |
357.46 |
O=C(Cc1ccccc1)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666868 |
OBDepict
O
HN
N
H
N
H
3
C
N
F
N
N
F
F
F
|
IC50 |
= |
600.3 |
nM |
420.37 |
Cc1ncncc1NC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666850 |
OBDepict
O
N
H
N
N
N
F
F
F
|
IC50 |
= |
604.3 |
nM |
386.38 |
O=C(Cc1ccccn1)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666840 |
OBDepict
O
N
H
S
CH
3
N
NH
2
N
N
|
IC50 |
= |
851.4 |
nM |
379.49 |
Cc1ncsc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)c(N)c1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |
CHEMBL3666835 |
OBDepict
O
N
H
N
N
N
|
IC50 |
= |
968.1 |
nM |
358.45 |
O=C(Cc1ccccn1)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1 |
Homo sapiens |
CHEMBL3705678 |
cell-based format |