molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2377769 |
|
IC50 |
= |
26.0 |
nM |
388.51 |
CC1CCc2sc(NC(=O)CN3CCN(c4ccc(F)cc4)CC3)nc2C1 |
Homo sapiens |
CHEMBL2378196 |
single protein format |
CHEMBL2377620 |
OBDepict
F
N
N
N
N
O
CH
3
N
S
|
IC50 |
= |
41.0 |
nM |
389.5 |
CN(C(=O)CN1CCN(c2ccc(F)cn2)CC1)c1nc2c(s1)CCCC2 |
Homo sapiens |
CHEMBL2378196 |
single protein format |
CHEMBL2377621 |
OBDepict
F
N
N
N
N
H
O
N
S
|
IC50 |
= |
46.0 |
nM |
375.47 |
O=C(CN1CCN(c2ccc(F)cn2)CC1)Nc1nc2c(s1)CCCC2 |
Homo sapiens |
CHEMBL2378196 |
single protein format |
CHEMBL2377766 |
OBDepict
F
N
N
N
H
O
N
S
|
IC50 |
= |
77.0 |
nM |
374.49 |
O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nc2c(s1)CCCC2 |
Homo sapiens |
CHEMBL2378196 |
single protein format |
CHEMBL2377622 |
OBDepict
F
N
N
N
N
H
O
N
O
|
IC50 |
= |
100.0 |
nM |
359.41 |
O=C(CN1CCN(c2ccc(F)cn2)CC1)Nc1nc2c(o1)CCCC2 |
Homo sapiens |
CHEMBL2378196 |
single protein format |
CHEMBL2377611 |
OBDepict
F
N
N
N
O
N
N
|
IC50 |
= |
100.0 |
nM |
343.41 |
O=C(CN1CCN(c2ccc(F)cn2)CC1)c1cnc2n1CCCC2 |
Homo sapiens |
CHEMBL2378196 |
single protein format |
CHEMBL2058359 |
OBDepict
H
3
C
N
S
N
N
HN
N
O
O
F
F
F
|
IC50 |
= |
100.0 |
nM |
449.46 |
CCn1c(CNc2ccccc2)nnc1SCc1nc2cc(OC(F)(F)F)ccc2o1 |
Homo sapiens |
CHEMBL2061593 |
single protein format |
CHEMBL2377763 |
OBDepict
F
N
N
N
H
O
N
S
|
IC50 |
= |
120.0 |
nM |
388.51 |
O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nc2c(s1)CCCCC2 |
Homo sapiens |
CHEMBL2378196 |
single protein format |
CHEMBL2377617 |
OBDepict
F
N
N
N
O
N
N
|
IC50 |
= |
130.0 |
nM |
339.37 |
O=C(CN1CCN(c2ccc(F)cn2)CC1)c1cnc2ccccn12 |
Homo sapiens |
CHEMBL2378196 |
single protein format |
CHEMBL2377764 |
OBDepict
F
N
N
N
H
O
N
O
|
IC50 |
= |
180.0 |
nM |
358.42 |
O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nc2c(o1)CCCC2 |
Homo sapiens |
CHEMBL2378196 |
single protein format |
CHEMBL2058343 |
OBDepict
CH
3
O
N
O
S
N
N
N
H
3
C
NH
|
IC50 |
= |
190.0 |
nM |
421.53 |
CCC(=O)c1ccc2oc(CSc3nnc(CNc4ccccc4)n3CC)nc2c1 |
Homo sapiens |
CHEMBL2061593 |
single protein format |
CHEMBL2377610 |
OBDepict
F
N
N
N
O
N
H
3
C
N
|
IC50 |
= |
190.0 |
nM |
357.43 |
Cc1nc2n(c1C(=O)CN1CCN(c3ccc(F)cn3)CC1)CCCC2 |
Homo sapiens |
CHEMBL2378196 |
single protein format |
CHEMBL2377757 |
OBDepict
O
N
H
N
N
S
N
N
|
IC50 |
= |
200.0 |
nM |
357.48 |
O=C(CN1CCN(c2ccccn2)CC1)Nc1nc2c(s1)CCCC2 |
Homo sapiens |
CHEMBL2378196 |
single protein format |
CHEMBL2058092 |
OBDepict
H
3
C
N
S
N
N
NH
HN
O
O
H
3
C
|
IC50 |
= |
230.0 |
nM |
437.57 |
CCCC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccccc3)n2CC)cc1 |
Homo sapiens |
CHEMBL2061593 |
single protein format |
CHEMBL2377761 |
OBDepict
CH
3
N
N
N
H
O
N
S
|
IC50 |
= |
250.0 |
nM |
370.52 |
Cc1ccc(N2CCN(CC(=O)Nc3nc4c(s3)CCCC4)CC2)cc1 |
Homo sapiens |
CHEMBL2378196 |
single protein format |
CHEMBL2058349 |
OBDepict
CH
3
N
HO
N
O
S
N
N
N
H
3
C
N
H
|
IC50 |
= |
260.0 |
nM |
436.54 |
CC/C(=N/O)c1ccc2oc(CSc3nnc(CNc4ccccc4)n3CC)nc2c1 |
Homo sapiens |
CHEMBL2061593 |
single protein format |
CHEMBL2377760 |
OBDepict
O
N
H
N
N
S
N
|
IC50 |
= |
280.0 |
nM |
356.5 |
O=C(CN1CCN(c2ccccc2)CC1)Nc1nc2c(s1)CCCC2 |
Homo sapiens |
CHEMBL2378196 |
single protein format |
CHEMBL2377614 |
OBDepict
F
N
N
N
O
N
N
|
IC50 |
= |
330.0 |
nM |
339.37 |
O=C(CN1CCN(c2ccc(F)cn2)CC1)c1cnn2ccccc12 |
Homo sapiens |
CHEMBL2378196 |
single protein format |
CHEMBL2058076 |
OBDepict
H
3
C
N
S
N
N
NH
HN
O
O
O
H
3
C
|
IC50 |
= |
330.0 |
nM |
439.54 |
CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccccc3)n2CC)cc1 |
Homo sapiens |
CHEMBL2061593 |
single protein format |
CHEMBL2058358 |
OBDepict
H
3
C
N
S
N
N
HN
N
O
F
F
F
|
IC50 |
= |
360.0 |
nM |
433.46 |
CCn1c(CNc2ccccc2)nnc1SCc1nc2cc(C(F)(F)F)ccc2o1 |
Homo sapiens |
CHEMBL2061593 |
single protein format |
CHEMBL2058091 |
OBDepict
H
3
C
O
N
H
O
S
N
N
N
H
3
C
NH
|
IC50 |
= |
400.0 |
nM |
423.54 |
CCC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccccc3)n2CC)cc1 |
Homo sapiens |
CHEMBL2061593 |
single protein format |
CHEMBL2058339 |
OBDepict
H
3
C
O
N
N
H
O
S
N
N
N
H
3
C
NH
|
IC50 |
= |
400.0 |
nM |
424.53 |
CCC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccccc3)n2CC)cn1 |
Homo sapiens |
CHEMBL2061593 |
single protein format |
CHEMBL2377619 |
OBDepict
F
N
N
N
O
N
H
3
C
N
|
IC50 |
= |
430.0 |
nM |
353.4 |
Cc1nc2ccccn2c1C(=O)CN1CCN(c2ccc(F)cn2)CC1 |
Homo sapiens |
CHEMBL2378196 |
single protein format |
CHEMBL2377767 |
OBDepict
O
N
H
N
S
N
CH
3
CH
3
N
F
|
IC50 |
= |
430.0 |
nM |
348.45 |
Cc1nc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)sc1C |
Homo sapiens |
CHEMBL2378196 |
single protein format |
CHEMBL2377612 |
OBDepict
F
N
N
N
O
O
|
IC50 |
= |
470.0 |
nM |
339.37 |
O=C(CN1CCN(c2ccc(F)cn2)CC1)c1coc2ccccc12 |
Homo sapiens |
CHEMBL2378196 |
single protein format |
CHEMBL2377765 |
OBDepict
F
N
N
N
H
O
N
S
|
IC50 |
= |
490.0 |
nM |
370.45 |
O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nc2ccccc2s1 |
Homo sapiens |
CHEMBL2378196 |
single protein format |
CHEMBL2377762 |
OBDepict
O
N
H
N
S
N
N
F
|
IC50 |
= |
490.0 |
nM |
360.46 |
O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nc2c(s1)CCC2 |
Homo sapiens |
CHEMBL2378196 |
single protein format |
CHEMBL2377623 |
OBDepict
O
N
H
N
N
S
N
N
S
|
IC50 |
= |
520.0 |
nM |
363.51 |
O=C(CN1CCN(c2nccs2)CC1)Nc1nc2c(s1)CCCC2 |
Homo sapiens |
CHEMBL2378196 |
single protein format |
CHEMBL2058078 |
OBDepict
CH
3
O
O
NH
O
S
N
N
N
H
3
C
HN
|
IC50 |
= |
540.0 |
nM |
425.51 |
CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 |
Homo sapiens |
CHEMBL2061593 |
single protein format |
CHEMBL2057220 |
OBDepict
CH
3
O
N
CH
3
O
S
N
N
N
CH
3
N
H
|
IC50 |
= |
580.0 |
nM |
437.57 |
CCC(=O)c1ccc(N(C)C(=O)CSc2nnc(CNc3ccccc3)n2CC)cc1 |
Homo sapiens |
CHEMBL2061593 |
single protein format |
CHEMBL2058346 |
OBDepict
H
3
C
N
S
N
N
HN
N
O
O
CH
3
H
3
C
|
IC50 |
= |
600.0 |
nM |
435.55 |
CCn1c(CNc2ccccc2)nnc1SCc1nc2cc(C(=O)C(C)C)ccc2o1 |
Homo sapiens |
CHEMBL2061593 |
single protein format |
CHEMBL2058344 |
OBDepict
CH
3
O
O
N
O
S
N
N
N
H
3
C
N
H
|
IC50 |
= |
680.0 |
nM |
437.53 |
CCOC(=O)c1ccc2oc(CSc3nnc(CNc4ccccc4)n3CC)nc2c1 |
Homo sapiens |
CHEMBL2061593 |
single protein format |
CHEMBL2377618 |
OBDepict
CH
3
N
N
S
O
N
N
N
F
|
IC50 |
= |
780.0 |
nM |
403.53 |
CCN(C(=O)CN1CCN(c2ccc(F)cn2)CC1)c1nc2c(s1)CCCC2 |
Homo sapiens |
CHEMBL2378196 |
single protein format |
CHEMBL2058345 |
OBDepict
CH
3
O
O
N
S
N
N
N
H
3
C
NH
|
IC50 |
= |
900.0 |
nM |
421.53 |
CCC(=O)c1ccc2nc(CSc3nnc(CNc4ccccc4)n3CC)oc2c1 |
Homo sapiens |
CHEMBL2061593 |
single protein format |