molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4870304 |
|
IC50 |
= |
24.04 |
nM |
499.53 |
COc1cc2nc(NC3CC3)nc(NC3CCN(C(C)C)CC3)c2cc1OC.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL4805274 |
single protein format |
CHEMBL4866963 |
OBDepict
H
3
C
O
O
N
CH
3
N
|
IC50 |
= |
29.33 |
nM |
342.4 |
COc1cc2nc(-c3ccccc3)nc(-c3ccccc3)c2cc1OC |
Homo sapiens |
CHEMBL4805274 |
single protein format |
CHEMBL4852690 |
OBDepict
OH
O
F
F
F
CH
3
N
CH
3
N
H
N
N
N
F
F
|
IC50 |
= |
48.32 |
nM |
503.52 |
CC(C)N1CCC(Nc2nc(N3CCC(F)(F)CC3)nc3ccccc23)CC1.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL4805274 |
single protein format |
CHEMBL4849486 |
OBDepict
CH
3
O
O
H
3
C
N
N
N
N
F
F
N
H
3
C
|
IC50 |
= |
57.12 |
nM |
407.47 |
COc1cc2nc(N3CCN(C)CC3)nc(N3CCC(F)(F)CC3)c2cc1OC |
Homo sapiens |
CHEMBL4805274 |
single protein format |
CHEMBL4852751 |
OBDepict
H
3
C
O
O
N
CH
3
N
N
F
F
|
IC50 |
= |
64.55 |
nM |
385.41 |
COc1cc2nc(N3CCC(F)(F)CC3)nc(-c3ccccc3)c2cc1OC |
Homo sapiens |
CHEMBL4805274 |
single protein format |
CHEMBL4850497 |
OBDepict
CH
3
O
O
N
CH
3
N
N
HN
N
F
F
CH
3
CH
3
|
IC50 |
= |
70.01 |
nM |
395.45 |
COc1cc2nc(N3CCC(F)(F)CC3)nc(NCCN(C)C)c2cc1OC |
Homo sapiens |
CHEMBL4805274 |
single protein format |
CHEMBL4845829 |
OBDepict
CH
3
N
H
3
C
HN
N
N
H
N
|
IC50 |
= |
79.04 |
nM |
325.46 |
CC(C)N1CCC(Nc2nc(NC3CC3)nc3ccccc23)CC1 |
Homo sapiens |
CHEMBL4805274 |
single protein format |
CHEMBL4867099 |
OBDepict
OH
O
F
F
F
CH
3
O
O
H
3
C
N
N
N
N
N
CH
3
F
F
|
IC50 |
= |
79.88 |
nM |
521.49 |
COc1cc2nc(N3CCC(F)(F)CC3)nc(N3CCN(C)CC3)c2cc1OC.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL4805274 |
single protein format |
CHEMBL4861911 |
OBDepict
OH
O
F
F
F
CH
3
O
O
CH
3
N
H
N
N
N
N
N
H
3
C
CH
3
CH
3
|
IC50 |
= |
90.91 |
nM |
542.6 |
COc1cc2nc(N3CCN(C)CC3)nc(NC3CCN(C(C)C)CC3)c2cc1OC.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL4805274 |
single protein format |
CHEMBL4865989 |
OBDepict
H
3
C
O
O
H
3
C
N
H
N
N
N
CH
3
CH
3
|
IC50 |
= |
96.67 |
nM |
406.53 |
COc1cc2nc(-c3ccccc3)nc(NC3CCN(C(C)C)CC3)c2cc1OC |
Homo sapiens |
CHEMBL4805274 |
single protein format |
CHEMBL4854631 |
OBDepict
OH
O
F
F
F
CH
3
O
O
N
H
3
C
N
N
HN
F
F
|
IC50 |
= |
98.77 |
nM |
492.45 |
COc1cc2nc(N3CCC(F)(F)CC3)nc(NC3CCC3)c2cc1OC.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL4805274 |
single protein format |
CHEMBL4866469 |
OBDepict
OH
O
F
F
F
CH
3
O
O
H
3
C
N
N
N
N
F
F
F
F
|
IC50 |
= |
101.7 |
nM |
542.45 |
COc1cc2nc(N3CCC(F)(F)CC3)nc(N3CCC(F)(F)CC3)c2cc1OC.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL4805274 |
single protein format |
CHEMBL4853823 |
OBDepict
CH
3
O
O
CH
3
N
H
N
N
HN
N
N
H
3
C
CH
3
CH
3
CH
3
|
IC50 |
= |
127.2 |
nM |
416.57 |
COc1cc2nc(NCCN(C)C)nc(NC3CCN(C(C)C)CC3)c2cc1OC |
Homo sapiens |
CHEMBL4805274 |
single protein format |
CHEMBL4869170 |
OBDepict
OH
O
F
F
F
CH
3
O
O
N
H
3
C
N
N
HN
F
F
|
IC50 |
= |
137.0 |
nM |
514.45 |
COc1cc2nc(N3CCC(F)(F)CC3)nc(Nc3ccccc3)c2cc1OC.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL4805274 |
single protein format |
CHEMBL4863409 |
OBDepict
OH
O
F
F
F
CH
3
O
O
CH
3
N
H
N
N
N
N
H
3
C
CH
3
F
F
|
IC50 |
= |
148.3 |
nM |
563.57 |
COc1cc2nc(N3CCC(F)(F)CC3)nc(NC3CCN(C(C)C)CC3)c2cc1OC.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL4805274 |
single protein format |
CHEMBL4852657 |
OBDepict
CH
3
HN
CH
3
N
N
N
H
O
O
CH
3
N
CH
3
CH
3
CH
3
|
IC50 |
= |
178.2 |
nM |
401.56 |
CCC(C)Nc1nc(NC2CCN(C(C)C)CC2)c2cc(OC)c(OC)cc2n1 |
Homo sapiens |
CHEMBL4805274 |
single protein format |
CHEMBL4865317 |
OBDepict
CH
3
O
O
H
3
C
N
H
N
N
N
CH
3
N
CH
3
CH
3
|
IC50 |
= |
251.9 |
nM |
399.54 |
COc1cc2nc(N(C)C3CC3)nc(NC3CCN(C(C)C)CC3)c2cc1OC |
Homo sapiens |
CHEMBL4805274 |
single protein format |