molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4750179 |
|
IC50 |
= |
37.0 |
nM |
403.87 |
Cc1cc(-c2ccc3c(c2)-c2nnc(Nc4cccc(Cl)c4)n2CCO3)ccn1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4798957 |
OBDepict
CH
3
N
O
N
N
N
N
H
O
F
F
F
|
IC50 |
= |
45.0 |
nM |
453.42 |
Cc1cc(-c2ccc3c(c2)-c2nnc(Nc4cccc(OC(F)(F)F)c4)n2CCO3)ccn1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4790150 |
OBDepict
F
F
F
N
H
N
N
N
O
N
|
IC50 |
= |
48.0 |
nM |
423.4 |
FC(F)(F)c1cccc(Nc2nnc3n2CCOc2ccc(-c4ccncc4)cc2-3)c1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4746135 |
OBDepict
CH
3
N
O
N
N
N
O
F
Cl
|
IC50 |
= |
56.0 |
nM |
422.85 |
Cc1cc(-c2ccc3c(c2)-c2nnc(Oc4cccc(Cl)c4F)n2CCO3)ccn1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4761139 |
OBDepict
Cl
O
N
N
N
O
N
CH
3
|
IC50 |
= |
58.0 |
nM |
404.86 |
Cc1cc(-c2ccc3c(c2)-c2nnc(Oc4cccc(Cl)c4)n2CCO3)ccn1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4755454 |
OBDepict
F
O
F
F
N
H
N
N
N
O
N
|
IC50 |
= |
63.0 |
nM |
439.4 |
FC(F)(F)Oc1cccc(Nc2nnc3n2CCOc2ccc(-c4ccncc4)cc2-3)c1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4788072 |
OBDepict
CH
3
N
O
N
N
N
N
H
F
F
F
|
IC50 |
= |
63.0 |
nM |
437.43 |
Cc1cc(-c2ccc3c(c2)-c2nnc(Nc4cccc(C(F)(F)F)c4)n2CCO3)ccn1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4752684 |
OBDepict
H
3
C
N
O
N
N
N
N
H
F
F
F
|
IC50 |
= |
74.0 |
nM |
451.45 |
CCc1cc(-c2ccc3c(c2)-c2nnc(Nc4cccc(C(F)(F)F)c4)n2CCO3)ccn1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4751613 |
OBDepict
CH
3
N
O
N
N
N
O
O
F
F
F
|
IC50 |
= |
78.0 |
nM |
454.41 |
Cc1cc(-c2ccc3c(c2)-c2nnc(Oc4cccc(OC(F)(F)F)c4)n2CCO3)ccn1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4763234 |
OBDepict
N
N
H
N
O
O
N
|
IC50 |
= |
80.0 |
nM |
370.41 |
N#Cc1cccc(NC(=O)N2CCOc3ccc(-c4ccncc4)cc3C2)c1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4743615 |
OBDepict
CH
3
N
O
N
N
N
O
O
F
F
F
|
IC50 |
= |
89.0 |
nM |
454.41 |
Cc1cc(-c2ccc3c(c2)-c2nnc(Oc4ccccc4OC(F)(F)F)n2CCO3)ccn1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4759692 |
OBDepict
CH
3
N
O
N
N
N
O
Cl
|
IC50 |
= |
102.0 |
nM |
404.86 |
Cc1cc(-c2ccc3c(c2)-c2nnc(Oc4ccccc4Cl)n2CCO3)ccn1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4787638 |
OBDepict
Cl
HN
N
O
O
N
|
IC50 |
= |
108.0 |
nM |
379.85 |
O=C(Nc1cccc(Cl)c1)N1CCOc2ccc(-c3ccncc3)cc2C1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4783052 |
OBDepict
N
N
H
N
O
O
N
N
|
IC50 |
= |
110.0 |
nM |
359.39 |
N#Cc1cccc(NC(=O)N2CCOc3ccc(-n4ccnc4)cc3C2)c1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4753373 |
OBDepict
O
N
N
H
O
Cl
F
N
|
IC50 |
= |
132.0 |
nM |
397.84 |
O=C(Nc1ccc(F)c(Cl)c1)N1CCOc2ccc(-c3ccncc3)cc2C1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4755668 |
OBDepict
O
N
N
H
O
Cl
Cl
N
|
IC50 |
= |
140.0 |
nM |
414.29 |
O=C(Nc1ccc(Cl)c(Cl)c1)N1CCOc2ccc(-c3ccncc3)cc2C1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4782723 |
OBDepict
O
N
N
H
N
H
Cl
Cl
N
|
IC50 |
= |
146.0 |
nM |
413.31 |
O=C(Nc1ccc(Cl)c(Cl)c1)N1CCNc2ccc(-c3ccncc3)cc2C1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4756319 |
OBDepict
O
N
N
H
O
F
F
F
N
|
IC50 |
= |
158.0 |
nM |
413.4 |
O=C(Nc1cccc(C(F)(F)F)c1)N1CCOc2ccc(-c3ccncc3)cc2C1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4800653 |
OBDepict
O
N
N
H
O
F
Cl
N
|
IC50 |
= |
163.0 |
nM |
397.84 |
O=C(Nc1cccc(Cl)c1F)N1CCOc2ccc(-c3ccncc3)cc2C1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4750165 |
OBDepict
CH
3
O
HN
N
O
O
O
N
CH
3
|
IC50 |
= |
187.0 |
nM |
405.45 |
COc1cccc(NC(=O)N2CCOc3ccc(-c4ccncc4OC)cc3C2)c1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4792959 |
OBDepict
F
HN
N
O
O
N
|
IC50 |
= |
224.0 |
nM |
363.39 |
O=C(Nc1cccc(F)c1)N1CCOc2ccc(-c3ccncc3)cc2C1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4750832 |
OBDepict
H
3
C
O
NH
N
O
O
N
|
IC50 |
= |
249.0 |
nM |
375.43 |
COc1cccc(NC(=O)N2CCOc3ccc(-c4ccncc4)cc3C2)c1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4785678 |
OBDepict
O
N
N
H
O
N
|
IC50 |
= |
343.0 |
nM |
421.5 |
O=C(Nc1cccc(-c2ccccc2)c1)N1CCOc2ccc(-c3ccncc3)cc2C1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4782047 |
OBDepict
H
3
C
O
NH
N
O
O
N
CH
3
|
IC50 |
= |
374.0 |
nM |
389.45 |
COc1cccc(NC(=O)N2CCOc3ccc(-c4ccnc(C)c4)cc3C2)c1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4790417 |
OBDepict
CH
3
O
HN
N
O
O
CH
3
N
|
IC50 |
= |
394.0 |
nM |
389.45 |
COc1cccc(NC(=O)N2CCOc3ccc(-c4ccncc4C)cc3C2)c1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4760456 |
OBDepict
CH
3
O
NH
N
O
O
N
|
IC50 |
= |
517.0 |
nM |
375.43 |
COc1ccccc1NC(=O)N1CCOc2ccc(-c3ccncc3)cc2C1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4744842 |
OBDepict
Cl
N
N
N
O
N
CH
3
|
IC50 |
= |
593.0 |
nM |
402.89 |
Cc1cc(-c2ccc3c(c2)-c2nnc(Cc4cccc(Cl)c4)n2CCO3)ccn1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4754434 |
OBDepict
O
N
N
H
O
Cl
Cl
N
|
IC50 |
= |
708.0 |
nM |
414.29 |
O=C(Nc1cccc(Cl)c1Cl)N1CCOc2ccc(-c3ccncc3)cc2C1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4779820 |
OBDepict
O
N
N
H
O
N
|
IC50 |
= |
793.0 |
nM |
345.4 |
O=C(Nc1ccccc1)N1CCOc2ccc(-c3ccncc3)cc2C1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4781458 |
OBDepict
N
N
H
N
O
O
N
NH
2
|
IC50 |
= |
810.0 |
nM |
385.43 |
N#Cc1cccc(NC(=O)N2CCOc3ccc(-c4ccnc(N)c4)cc3C2)c1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4743675 |
OBDepict
O
N
N
H
Cl
Cl
N
|
IC50 |
= |
839.0 |
nM |
412.32 |
O=C(Nc1ccc(Cl)c(Cl)c1)N1CCCc2ccc(-c3ccncc3)cc2C1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |
CHEMBL4779679 |
OBDepict
H
3
C
O
NH
N
O
O
N
|
IC50 |
= |
962.0 |
nM |
425.49 |
COc1cccc(NC(=O)N2CCOc3ccc(-c4ccnc5ccccc45)cc3C2)c1 |
Homo sapiens |
CHEMBL4717447 |
cell-based format |