molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL391935 |
|
IC50 |
= |
8.0 |
nM |
516.13 |
Cc1ccccc1C1CCCN(Cc2ccc(C(=O)N(CCc3ccccc3Cl)C3CCNC3)cc2)C1 |
Homo sapiens |
CHEMBL896780 |
cell-based format |
CHEMBL233987 |
OBDepict
H
3
C
O
N
O
N
H
N
|
IC50 |
= |
29.0 |
nM |
447.62 |
COc1ccccc1CCN(C(=O)c1ccc(CN2CC3CCCC2C3)cc1)C1CCNC1 |
Homo sapiens |
CHEMBL896780 |
cell-based format |
CHEMBL233799 |
OBDepict
CH
3
O
N
O
N
H
N
CH
3
|
IC50 |
= |
37.0 |
nM |
511.71 |
COc1ccccc1CCN(C(=O)c1ccc(CN2CCCC(c3ccccc3C)C2)cc1)C1CCNC1 |
Homo sapiens |
CHEMBL896780 |
cell-based format |
CHEMBL233421 |
OBDepict
H
3
C
O
N
O
NH
N
|
IC50 |
= |
95.0 |
nM |
433.6 |
COc1ccccc1CCN(C(=O)c1ccc(CN2CC3CCC2C3)cc1)C1CCNC1 |
Homo sapiens |
CHEMBL896780 |
cell-based format |
CHEMBL233422 |
OBDepict
CH
3
O
N
O
N
H
N
H
H
H
OH
|
IC50 |
= |
100.0 |
nM |
451.61 |
COc1ccccc1CCN(C(=O)c1ccc(CN[C@H]2CCCC[C@@H]2O)cc1)C1CCNC1 |
Homo sapiens |
CHEMBL896780 |
cell-based format |
CHEMBL233609 |
OBDepict
CH
3
O
H
N
N
O
N
H
O
H
3
C
|
IC50 |
= |
140.0 |
nM |
451.61 |
COC[C@@H]1CCCN1Cc1ccc(C(=O)N(CCc2ccccc2OC)C2CCNC2)cc1 |
Homo sapiens |
CHEMBL896780 |
cell-based format |
CHEMBL233610 |
OBDepict
CH
3
O
N
O
N
H
N
O
H
2
N
|
IC50 |
= |
160.0 |
nM |
464.61 |
COc1ccccc1CCN(C(=O)c1ccc(CN2CCCC(C(N)=O)C2)cc1)C1CCNC1 |
Homo sapiens |
CHEMBL896780 |
cell-based format |
CHEMBL233611 |
OBDepict
CH
3
N
CH
3
N
O
H
NH
O
H
3
C
|
IC50 |
= |
170.0 |
nM |
409.57 |
CCN(CC)Cc1ccc(C(=O)N(CCc2ccccc2OC)[C@@H]2CCNC2)cc1 |
Homo sapiens |
CHEMBL896780 |
cell-based format |
CHEMBL394028 |
OBDepict
CH
3
O
N
O
N
H
N
|
IC50 |
= |
250.0 |
nM |
421.59 |
COc1ccccc1CCN(C(=O)c1ccc(CN2CCCCC2)cc1)C1CCNC1 |
Homo sapiens |
CHEMBL896780 |
cell-based format |
CHEMBL393989 |
OBDepict
CH
3
O
N
O
N
H
O
|
IC50 |
= |
310.0 |
nM |
430.55 |
COc1ccccc1CCN(C(=O)c1ccc(OCc2ccccc2)cc1)C1CCNC1 |
Homo sapiens |
CHEMBL896780 |
cell-based format |
CHEMBL232587 |
OBDepict
CH
3
N
CH
3
N
O
N
H
Cl
Cl
|
IC50 |
= |
430.0 |
nM |
448.44 |
CCN(CC)Cc1ccc(C(=O)N(CCc2c(Cl)cccc2Cl)C2CCNC2)cc1 |
Homo sapiens |
CHEMBL896780 |
cell-based format |
CHEMBL232777 |
OBDepict
Cl
N
O
N
H
O
|
IC50 |
= |
510.0 |
nM |
434.97 |
O=C(c1ccc(OCc2ccccc2)cc1)N(CCc1cccc(Cl)c1)C1CCNC1 |
Homo sapiens |
CHEMBL896780 |
cell-based format |
CHEMBL231776 |
OBDepict
CH
3
N
CH
3
N
O
N
H
O
H
3
C
|
IC50 |
= |
540.0 |
nM |
409.57 |
CCN(CC)Cc1ccc(C(=O)N(CCc2ccccc2OC)C2CCNC2)cc1 |
Homo sapiens |
CHEMBL896780 |
cell-based format |
CHEMBL233573 |
OBDepict
O
N
N
H
O
Cl
|
IC50 |
= |
590.0 |
nM |
434.97 |
O=C(c1ccc(OCc2ccccc2)cc1)N(CCc1ccccc1Cl)C1CCNC1 |
Homo sapiens |
CHEMBL896780 |
cell-based format |
CHEMBL233572 |
OBDepict
CH
3
N
CH
3
N
O
N
H
Cl
|
IC50 |
= |
840.0 |
nM |
413.99 |
CCN(CC)Cc1ccc(C(=O)N(CCc2ccccc2Cl)C2CCNC2)cc1 |
Homo sapiens |
CHEMBL896780 |
cell-based format |
CHEMBL394029 |
OBDepict
CH
3
N
CH
3
N
O
H
NH
O
H
3
C
|
IC50 |
= |
970.0 |
nM |
409.57 |
CCN(CC)Cc1ccc(C(=O)N(CCc2ccccc2OC)[C@H]2CCNC2)cc1 |
Homo sapiens |
CHEMBL896780 |
cell-based format |