molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL495534 |
|
IC50 |
= |
30.0 |
nM |
556.59 |
O=C(Cn1ccnc1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1011781 |
single protein format |
CHEMBL606033 |
OBDepict
O
N
N
N
N
H
CH
3
CH
3
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
40.0 |
nM |
596.65 |
CN(C)c1ccc(C(=O)N2CCC(NS(=O)(=O)c3cc(S(=O)(=O)c4ccccc4)ccc3C(F)(F)F)CC2)cn1 |
Homo sapiens |
CHEMBL1072833 |
single protein format |
CHEMBL592670 |
OBDepict
O
N
H
NH
HN
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
40.0 |
nM |
545.61 |
O=C([C@H]1CCNC1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1072833 |
single protein format |
CHEMBL589066 |
OBDepict
O
N
N
HN
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
60.0 |
nM |
553.58 |
O=C(c1ccccn1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1072833 |
single protein format |
CHEMBL591482 |
OBDepict
O
N
H
NH
HN
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
60.0 |
nM |
545.61 |
O=C([C@@H]1CCNC1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1072833 |
single protein format |
CHEMBL603165 |
OBDepict
NH
2
O
N
HN
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
60.0 |
nM |
505.54 |
NC(=O)CN1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1072833 |
single protein format |
CHEMBL589088 |
OBDepict
O
N
HN
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
70.0 |
nM |
552.6 |
O=C(c1ccccc1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1072833 |
single protein format |
CHEMBL589067 |
OBDepict
O
N
N
HN
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
80.0 |
nM |
553.58 |
O=C(c1cccnc1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1072833 |
single protein format |
CHEMBL525899 |
OBDepict
O
N
H
H
N
O
HN
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
90.0 |
nM |
559.59 |
O=C1CC[C@@H](C(=O)N2CCC(NS(=O)(=O)c3cc(S(=O)(=O)c4ccccc4)ccc3C(F)(F)F)CC2)N1 |
Homo sapiens |
CHEMBL1011781 |
single protein format |
CHEMBL523726 |
OBDepict
O
N
N
HN
O
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
100.0 |
nM |
575.63 |
O=C(CN1CCOCC1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1011781 |
single protein format |
CHEMBL591035 |
OBDepict
HO
O
N
HN
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
100.0 |
nM |
568.6 |
O=C(O)c1cccc(N2CCC(NS(=O)(=O)c3cc(S(=O)(=O)c4ccccc4)ccc3C(F)(F)F)CC2)c1 |
Homo sapiens |
CHEMBL1072833 |
single protein format |
CHEMBL589559 |
OBDepict
O
N
HN
NH
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
100.0 |
nM |
573.66 |
O=C(CC1CCNCC1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1072833 |
single protein format |
CHEMBL495526 |
OBDepict
O
N
N
HN
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
110.0 |
nM |
559.63 |
O=C(CN1CCCC1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1011781 |
single protein format |
CHEMBL605196 |
OBDepict
Cl
N
N
O
HN
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
110.0 |
nM |
588.03 |
O=C(c1ccc(Cl)nc1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1072833 |
single protein format |
CHEMBL495535 |
OBDepict
O
N
H
N
H
HN
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
110.0 |
nM |
545.61 |
O=C([C@@H]1CCCN1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1011781 |
single protein format |
CHEMBL591064 |
OBDepict
OH
O
N
HN
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
120.0 |
nM |
568.6 |
O=C(O)c1ccc(N2CCC(NS(=O)(=O)c3cc(S(=O)(=O)c4ccccc4)ccc3C(F)(F)F)CC2)cc1 |
Homo sapiens |
CHEMBL1072833 |
single protein format |
CHEMBL496581 |
OBDepict
H
3
C
N
H
N
O
HN
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
120.0 |
nM |
559.63 |
CN1CCC[C@H]1C(=O)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1011781 |
single protein format |
CHEMBL591017 |
OBDepict
O
N
N
H
HN
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
120.0 |
nM |
559.63 |
O=C(C1CCNCC1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1072833 |
single protein format |
CHEMBL589363 |
OBDepict
O
S
HN
O
S
F
F
F
O
O
N
S
O
O
|
IC50 |
= |
130.0 |
nM |
588.65 |
O=S(=O)(NC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc(S(=O)(=O)c2ccccc2)ccc1C(F)(F)F |
Homo sapiens |
CHEMBL1072833 |
single protein format |
CHEMBL525718 |
OBDepict
O
N
N
HN
NH
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
140.0 |
nM |
574.65 |
O=C(CN1CCNCC1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1011781 |
single protein format |
CHEMBL525970 |
OBDepict
O
N
H
N
O
H
3
C
HN
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
160.0 |
nM |
587.64 |
CC(=O)N1CCC[C@H]1C(=O)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1011781 |
single protein format |
CHEMBL591483 |
OBDepict
OH
O
N
HN
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
190.0 |
nM |
506.52 |
O=C(O)CN1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1072833 |
single protein format |
CHEMBL602239 |
OBDepict
F
F
F
S
HN
O
O
S
N
OH
CH
3
CH
3
O
O
|
IC50 |
= |
200.0 |
nM |
534.62 |
CC(C)(O)CCN1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1072833 |
single protein format |
CHEMBL608670 |
OBDepict
O
N
N
HN
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
200.0 |
nM |
553.58 |
O=C(c1ccncc1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1072833 |
single protein format |
CHEMBL589331 |
OBDepict
Cl
N
O
HN
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
200.0 |
nM |
587.04 |
O=C(c1ccccc1Cl)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1072833 |
single protein format |
CHEMBL495536 |
OBDepict
O
N
H
N
H
HN
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
200.0 |
nM |
545.61 |
O=C([C@H]1CCCN1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1011781 |
single protein format |
CHEMBL497177 |
OBDepict
H
3
C
N
H
N
O
HN
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
200.0 |
nM |
519.57 |
CNCC(=O)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1011781 |
single protein format |
CHEMBL592454 |
OBDepict
OH
O
N
O
HN
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
270.0 |
nM |
548.56 |
O=C(O)CCC(=O)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1072833 |
single protein format |
CHEMBL590541 |
OBDepict
Cl
N
O
HN
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
300.0 |
nM |
587.04 |
O=C(c1ccc(Cl)cc1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1072833 |
single protein format |
CHEMBL589332 |
OBDepict
Cl
N
O
HN
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
300.0 |
nM |
587.04 |
O=C(c1cccc(Cl)c1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1072833 |
single protein format |
CHEMBL497383 |
OBDepict
H
3
C
N
CH
3
N
O
HN
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
300.0 |
nM |
533.59 |
CN(C)CC(=O)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1011781 |
single protein format |
CHEMBL589567 |
OBDepict
O
N
N
N
H
CH
3
CH
3
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
300.0 |
nM |
595.67 |
CN(C)c1ccc(C(=O)N2CCC(NS(=O)(=O)c3cc(S(=O)(=O)c4ccccc4)ccc3C(F)(F)F)CC2)cc1 |
Homo sapiens |
CHEMBL1072833 |
single protein format |
CHEMBL592691 |
OBDepict
O
N
HN
O
OH
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
500.0 |
nM |
562.59 |
O=C(O)CCCC(=O)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1072833 |
single protein format |
CHEMBL592692 |
OBDepict
OH
N
HN
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
500.0 |
nM |
506.57 |
O=S(=O)(NC1CCN(CCCO)CC1)c1cc(S(=O)(=O)c2ccccc2)ccc1C(F)(F)F |
Homo sapiens |
CHEMBL1072833 |
single protein format |
CHEMBL495575 |
OBDepict
O
S
HN
O
S
F
F
F
O
O
NH
|
IC50 |
= |
500.0 |
nM |
448.49 |
O=S(=O)(NC1CCNCC1)c1cc(S(=O)(=O)c2ccccc2)ccc1C(F)(F)F |
Homo sapiens |
CHEMBL1011781 |
single protein format |
CHEMBL590306 |
OBDepict
OH
O
N
HN
S
O
O
S
F
F
F
O
O
|
IC50 |
= |
900.0 |
nM |
520.55 |
O=C(O)CCN1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL1072833 |
single protein format |