molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3677564 |
|
IC50 |
= |
0.5 |
nM |
485.59 |
COCCS(=O)(=O)C(C(=O)NCc1cc(C)no1)c1nc2ccc(-c3ccccc3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677538 |
OBDepict
O
NH
S
O
O
CH
3
N
S
S
O
O
H
2
N
Cl
|
IC50 |
= |
0.8 |
nM |
488.01 |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3cccc(Cl)c3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677562 |
OBDepict
H
3
C
O
S
O
O
N
S
HN
O
O
N
H
3
C
CH
3
|
IC50 |
= |
0.8 |
nM |
513.64 |
COCCS(=O)(=O)C(C(=O)NCc1cc(C(C)C)no1)c1nc2ccc(-c3ccccc3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677630 |
OBDepict
O
NH
S
O
O
CH
3
N
S
S
O
O
H
2
N
F
|
IC50 |
= |
1.0 |
nM |
471.56 |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccccc3F)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3672652 |
OBDepict
O
NH
S
O
O
CH
3
N
S
S
O
O
H
2
N
N
|
IC50 |
= |
1.0 |
nM |
522.67 |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3cccc(N4CCCC4)c3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677580 |
OBDepict
O
HN
S
O
O
H
3
C
N
S
O
N
H
3
C
CH
3
|
IC50 |
= |
1.4 |
nM |
469.59 |
CC(C)c1cc(CNC(=O)C(c2nc3ccc(-c4ccccc4)cc3s2)S(C)(=O)=O)on1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677632 |
OBDepict
O
NH
S
O
O
F
F
F
N
S
S
O
O
H
2
N
F
|
IC50 |
= |
1.5 |
nM |
553.58 |
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccccc3F)cc2s1)S(=O)(=O)CCC(F)(F)F |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677540 |
OBDepict
O
NH
S
O
O
CH
3
N
S
S
O
O
H
2
N
O
|
IC50 |
= |
1.9 |
nM |
545.66 |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3cccc(Oc4ccccc4)c3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3672654 |
OBDepict
CH
3
O
O
N
H
O
S
N
S
O
O
H
3
C
HN
O
S
O
O
H
2
N
|
IC50 |
= |
1.9 |
nM |
570.67 |
COCCOC(=O)Nc1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc3c2)cc1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL4463265 |
OBDepict
O
N
S
N
O
N
NH
S
O
O
NH
2
|
IC50 |
= |
2.0 |
nM |
415.46 |
NS(=O)(=O)NCc1nnc(C(=O)c2nc3ccc(-c4ccccc4)cc3s2)o1 |
Homo sapiens |
CHEMBL4325753 |
cell-based format |
CHEMBL3677434 |
OBDepict
CH
3
O
N
N
S
S
O
O
H
3
C
HN
O
S
O
O
H
2
N
|
IC50 |
= |
2.2 |
nM |
484.58 |
COc1cc(-c2ccc3sc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)nc3c2)ccn1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677571 |
OBDepict
O
NH
S
O
O
F
N
S
S
O
O
H
2
N
Cl
|
IC50 |
= |
2.4 |
nM |
582.1 |
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3cccc(Cl)c3)cc2s1)S(=O)(=O)Cc1ccc(F)cc1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3672653 |
OBDepict
CH
3
O
S
N
S
O
O
H
3
C
HN
O
S
O
O
H
2
N
|
IC50 |
= |
2.6 |
nM |
497.62 |
COCc1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc3c2)cc1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677433 |
OBDepict
CH
3
O
N
N
S
S
O
O
H
3
C
HN
O
S
O
O
H
2
N
|
IC50 |
= |
2.6 |
nM |
484.58 |
COc1ccc(-c2ccc3sc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)nc3c2)cn1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677610 |
OBDepict
O
NH
S
O
O
F
F
F
N
S
S
O
O
H
2
N
|
IC50 |
= |
2.6 |
nM |
535.59 |
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccccc3)cc2s1)S(=O)(=O)CCC(F)(F)F |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677607 |
OBDepict
O
HN
S
O
O
H
3
C
N
S
N
S
N
H
3
C
O
O
CH
3
H
3
C
CH
3
|
IC50 |
= |
2.8 |
nM |
558.71 |
Cc1nnc(CNC(=O)C(c2nc3ccc(-c4ccc(C(=O)OC(C)(C)C)cc4)cc3s2)S(C)(=O)=O)s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677550 |
OBDepict
O
HN
S
O
O
H
3
C
N
S
S
O
O
NH
2
N
O
O
H
3
C
H
3
C
CH
3
|
IC50 |
= |
2.8 |
nM |
542.66 |
CC(C)(C)OC(=O)n1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc3c2)c1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677537 |
OBDepict
O
NH
S
O
O
CH
3
N
S
S
O
O
H
2
N
Cl
|
IC50 |
= |
2.8 |
nM |
488.01 |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(Cl)cc3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677608 |
OBDepict
O
NH
S
O
O
H
3
C
H
3
C
N
S
S
O
O
H
2
N
F
O
O
CH
3
CH
3
H
3
C
|
IC50 |
= |
2.9 |
nM |
599.73 |
CC(C)S(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2c(F)cc(-c3cccc(C(=O)OC(C)(C)C)c3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3890635 |
OBDepict
O
N
S
N
O
N
N
S
H
3
C
O
O
H
2
N
|
IC50 |
= |
3.0 |
nM |
429.48 |
CN(Cc1nnc(C(=O)c2nc3ccc(-c4ccccc4)cc3s2)o1)S(N)(=O)=O |
Homo sapiens |
CHEMBL4325753 |
cell-based format |
CHEMBL175247 |
OBDepict
H
3
C
O
H
H
O
O
H
N
H
H
O
CH
3
H
3
C
O
CH
3
|
IC50 |
= |
3.0 |
nM |
495.75 |
CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |
Homo sapiens |
CHEMBL4385276 |
cell-based format |
CHEMBL3677543 |
OBDepict
F
O
F
S
N
S
O
O
CH
3
N
H
O
S
O
O
H
2
N
|
IC50 |
= |
3.0 |
nM |
519.57 |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3cccc(OC(F)F)c3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677545 |
OBDepict
CH
3
O
S
N
S
O
O
H
3
C
HN
O
S
O
O
H
2
N
|
IC50 |
= |
3.6 |
nM |
497.62 |
COCc1cccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc3c2)c1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677563 |
OBDepict
O
HN
S
O
O
H
3
C
N
S
O
N
CH
3
|
IC50 |
= |
3.6 |
nM |
441.53 |
Cc1cc(CNC(=O)C(c2nc3ccc(-c4ccccc4)cc3s2)S(C)(=O)=O)on1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677547 |
OBDepict
H
3
C
O
CH
3
Cl
S
N
S
O
O
H
3
C
HN
O
S
O
O
H
2
N
|
IC50 |
= |
3.6 |
nM |
546.09 |
CC(C)Oc1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc3c2)cc1Cl |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL4465833 |
OBDepict
O
S
N
N
O
N
NH
F
S
NH
O
O
O
NH
2
F
F
F
|
IC50 |
= |
4.0 |
nM |
482.4 |
NS(=O)(=O)NCc1nnc(C(=O)c2nc3cc(F)c(C(=O)NCC(F)(F)F)cc3s2)o1 |
Homo sapiens |
CHEMBL4325753 |
cell-based format |
CHEMBL4460376 |
OBDepict
F
S
N
O
N
O
NH
O
N
NH
F
F
F
S
O
O
NH
2
|
IC50 |
= |
4.0 |
nM |
558.5 |
NS(=O)(=O)NCc1nnc(C(=O)c2nc3cc(-c4ccc(C(=O)NCC(F)(F)F)cc4)c(F)cc3s2)o1 |
Homo sapiens |
CHEMBL4325753 |
cell-based format |
CHEMBL3905549 |
OBDepict
CH
3
O
N
H
O
S
N
O
N
O
N
N
H
S
O
O
NH
2
|
IC50 |
= |
5.0 |
nM |
488.51 |
COC(=O)Nc1ccc(-c2ccc3nc(C(=O)c4nnc(CNS(N)(=O)=O)o4)sc3c2)cc1 |
Homo sapiens |
CHEMBL4325753 |
cell-based format |
CHEMBL3677602 |
OBDepict
O
NH
S
O
O
H
3
C
N
S
S
O
O
H
2
N
H
3
C
O
O
H
3
C
CH
3
H
3
C
|
IC50 |
= |
5.1 |
nM |
567.71 |
Cc1cc2nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc2cc1-c1ccc(C(=O)OC(C)(C)C)cc1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677548 |
OBDepict
CH
3
O
F
F
S
N
S
O
O
H
3
C
HN
O
S
O
O
H
2
N
|
IC50 |
= |
5.2 |
nM |
519.57 |
COc1c(F)cc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc3c2)cc1F |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3682490 |
OBDepict
CH
3
O
N
S
S
O
O
H
3
C
HN
O
S
O
O
H
2
N
|
IC50 |
= |
6.7 |
nM |
497.62 |
COCc1ccc(-c2ccc3sc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)nc3c2)cc1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL4437751 |
OBDepict
O
HN
N
H
O
S
O
O
S
N
N
F
|
IC50 |
= |
7.0 |
nM |
538.63 |
O=C(CNC(=O)C(c1nc2ccc(-c3ccc(F)nc3)cc2s1)S(=O)(=O)Cc1ccccc1)NC1CC1 |
Homo sapiens |
CHEMBL4390140 |
cell-based format |
CHEMBL3677439 |
OBDepict
CH
3
O
N
H
O
N
S
S
O
O
H
3
C
HN
O
S
O
O
H
2
N
|
IC50 |
= |
7.1 |
nM |
554.67 |
COCCNC(=O)c1ccc(-c2ccc3sc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)nc3c2)cc1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677567 |
OBDepict
H
3
C
O
S
N
S
O
O
F
F
F
NH
O
S
O
O
NH
2
|
IC50 |
= |
7.3 |
nM |
579.64 |
COCc1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)cc1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677553 |
OBDepict
O
NH
S
O
O
CH
3
N
S
S
O
O
H
2
N
N
S
N
NH
2
|
IC50 |
= |
7.7 |
nM |
552.69 |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(-c4nnc(N)s4)cc3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL4471611 |
OBDepict
F
N
F
S
N
O
N
O
N
NH
S
O
O
NH
2
|
IC50 |
= |
9.0 |
nM |
452.42 |
NS(=O)(=O)NCc1nnc(C(=O)c2nc3cc(F)c(-c4ccc(F)nc4)cc3s2)o1 |
Homo sapiens |
CHEMBL4325753 |
cell-based format |
CHEMBL3677581 |
OBDepict
F
S
N
S
O
O
NH
O
N
O
N
CH
3
|
IC50 |
= |
9.4 |
nM |
536.61 |
Cc1nnc(CNC(=O)C(c2nc3ccc(-c4ccc(F)cc4)cc3s2)S(=O)(=O)Cc2ccccc2)o1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3672669 |
OBDepict
CH
3
O
S
N
S
O
O
H
3
C
HN
O
S
O
O
H
2
N
|
IC50 |
< |
10.0 |
nM |
483.59 |
COc1cccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc3c2)c1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677451 |
OBDepict
CH
3
S
O
O
N
S
NH
O
S
O
O
H
2
N
|
IC50 |
< |
10.0 |
nM |
481.62 |
CCCS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccccc3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3672661 |
OBDepict
CH
3
O
S
O
O
N
S
NH
O
S
O
O
H
2
N
N
H
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
570.67 |
COCCS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(NC(=O)OC)cc3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3672632 |
OBDepict
O
NH
S
O
O
CH
3
N
S
S
O
O
H
2
N
O
N
O
|
IC50 |
= |
10.0 |
nM |
582.73 |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677449 |
OBDepict
H
3
C
S
O
O
N
S
HN
O
S
O
O
NH
2
|
IC50 |
< |
10.0 |
nM |
467.59 |
CCS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccccc3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677522 |
OBDepict
CH
3
O
N
S
N
S
O
O
H
3
C
HN
O
S
O
O
H
2
N
|
IC50 |
< |
10.0 |
nM |
484.58 |
COc1cccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc3c2)n1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL4458141 |
OBDepict
CH
3
S
CH
3
O
O
N
S
N
O
N
N
H
S
O
O
H
2
N
|
IC50 |
< |
10.0 |
nM |
507.62 |
CC(C)S(=O)(=O)C(c1nnc(CNS(N)(=O)=O)o1)c1nc2ccc(-c3ccccc3)cc2s1 |
Homo sapiens |
CHEMBL4385276 |
cell-based format |
CHEMBL3672633 |
OBDepict
CH
3
N
O
S
N
S
O
O
H
3
C
HN
O
S
O
O
H
2
N
|
IC50 |
< |
10.0 |
nM |
578.74 |
CC1CCN(C(=O)c2ccc(-c3ccc4nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc4c3)cc2)CC1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677491 |
OBDepict
CH
3
O
N
S
N
S
O
O
H
3
C
HN
O
S
O
O
H
2
N
|
IC50 |
< |
10.0 |
nM |
484.58 |
COc1cc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc3c2)ccn1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3672626 |
OBDepict
O
NH
S
O
O
CH
3
N
S
S
O
O
H
2
N
F
|
IC50 |
< |
10.0 |
nM |
471.56 |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(F)cc3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677500 |
OBDepict
O
NH
S
O
O
H
3
C
N
S
S
O
O
H
2
N
O
O
H
3
C
CH
3
H
3
C
|
IC50 |
< |
10.0 |
nM |
553.68 |
CC(C)(C)OC(=O)c1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc3c2)cc1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL4589925 |
OBDepict
F
F
F
S
O
O
N
S
N
O
N
N
H
S
O
O
H
2
N
|
IC50 |
< |
10.0 |
nM |
561.59 |
NS(=O)(=O)NCc1nnc(C(c2nc3ccc(-c4ccccc4)cc3s2)S(=O)(=O)CCC(F)(F)F)o1 |
Homo sapiens |
CHEMBL4385276 |
cell-based format |
CHEMBL3672627 |
OBDepict
O
NH
S
O
O
CH
3
N
S
S
O
O
H
2
N
F
|
IC50 |
< |
10.0 |
nM |
471.56 |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3cccc(F)c3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677450 |
OBDepict
CH
3
H
3
C
S
O
O
N
S
HN
O
S
O
O
NH
2
|
IC50 |
< |
10.0 |
nM |
495.65 |
CC(C)CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccccc3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677554 |
OBDepict
O
NH
S
O
O
CH
3
N
S
S
O
O
H
2
N
N
O
|
IC50 |
= |
10.0 |
nM |
520.61 |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(-c4ncco4)cc3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3672628 |
OBDepict
O
NH
S
O
O
CH
3
N
S
S
O
O
H
2
N
O
O
|
IC50 |
< |
10.0 |
nM |
497.58 |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc4c(c3)OCO4)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677447 |
OBDepict
H
3
C
O
S
O
O
N
S
HN
O
S
O
O
NH
2
|
IC50 |
< |
10.0 |
nM |
497.62 |
COCCS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccccc3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677438 |
OBDepict
O
NH
S
O
O
CH
3
N
S
S
O
O
H
2
N
|
IC50 |
< |
10.0 |
nM |
453.57 |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2cc(-c3ccccc3)ccc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3672641 |
OBDepict
_
C
+
N
S
N
S
O
O
H
3
C
HN
O
S
O
O
H
2
N
|
IC50 |
< |
10.0 |
nM |
478.58 |
[C-]#[N+]c1cccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc3c2)c1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677499 |
OBDepict
CH
3
O
S
O
O
S
N
HN
O
N
O
F
N
CH
3
|
IC50 |
< |
10.0 |
nM |
504.57 |
COCCS(=O)(=O)C(C(=O)NCc1nnc(C)o1)c1nc2cc(F)c(-c3ccccc3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3982030 |
OBDepict
F
S
N
O
N
O
N
NH
S
O
O
NH
2
|
IC50 |
= |
10.0 |
nM |
433.45 |
NS(=O)(=O)NCc1nnc(C(=O)c2nc3ccc(-c4ccc(F)cc4)cc3s2)o1 |
Homo sapiens |
CHEMBL4325753 |
cell-based format |
CHEMBL4446812 |
OBDepict
CH
3
N
H
S
NH
O
O
N
O
N
O
N
S
|
IC50 |
= |
10.0 |
nM |
429.48 |
CNS(=O)(=O)NCc1nnc(C(=O)c2nc3ccc(-c4ccccc4)cc3s2)o1 |
Homo sapiens |
CHEMBL4325753 |
cell-based format |
CHEMBL3677427 |
OBDepict
F
N
CH
3
S
N
S
O
O
H
3
C
HN
O
N
O
N
H
3
C
|
IC50 |
< |
10.0 |
nM |
475.53 |
Cc1nnc(CNC(=O)C(c2nc3cc(C)c(-c4ccc(F)nc4)cc3s2)S(C)(=O)=O)o1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3672658 |
OBDepict
O
NH
S
O
O
CH
3
N
S
S
O
O
H
2
N
N
N
|
IC50 |
< |
10.0 |
nM |
533.66 |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3cnn(Cc4ccccc4)c3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3672629 |
OBDepict
O
NH
S
O
O
CH
3
N
S
S
O
O
H
2
N
O
F
F
F
|
IC50 |
< |
10.0 |
nM |
537.56 |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3672664 |
OBDepict
O
NH
S
O
O
CH
3
N
S
S
O
O
H
2
N
N
N
F
|
IC50 |
< |
10.0 |
nM |
537.62 |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3cnn(-c4ccc(F)cc4)c3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677473 |
OBDepict
F
N
CH
3
S
N
S
O
O
H
3
C
HN
O
S
O
O
H
2
N
|
IC50 |
< |
10.0 |
nM |
486.57 |
Cc1cc2nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc2cc1-c1ccc(F)nc1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677448 |
OBDepict
O
NH
S
O
O
S
N
S
O
O
H
2
N
|
IC50 |
< |
10.0 |
nM |
529.67 |
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccccc3)cc2s1)S(=O)(=O)Cc1ccccc1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL4473238 |
OBDepict
H
3
C
O
S
O
O
N
S
N
O
N
N
H
S
O
O
NH
2
|
IC50 |
< |
10.0 |
nM |
523.62 |
COCCS(=O)(=O)C(c1nnc(CNS(N)(=O)=O)o1)c1nc2ccc(-c3ccccc3)cc2s1 |
Homo sapiens |
CHEMBL4385276 |
cell-based format |
CHEMBL4546575 |
OBDepict
O
HN
S
O
N
O
N
S
O
O
CH
3
N
S
|
IC50 |
< |
10.0 |
nM |
500.58 |
CS(=O)(=O)C(c1nnc(CC2SC(=O)NC2=O)o1)c1nc2ccc(-c3ccccc3)cc2s1 |
Homo sapiens |
CHEMBL4385276 |
cell-based format |
CHEMBL4567596 |
OBDepict
Cl
S
N
S
O
O
N
O
N
N
H
S
O
O
NH
2
|
IC50 |
< |
10.0 |
nM |
590.11 |
NS(=O)(=O)NCc1nnc(C(c2nc3ccc(-c4cccc(Cl)c4)cc3s2)S(=O)(=O)Cc2ccccc2)o1 |
Homo sapiens |
CHEMBL4385276 |
cell-based format |
CHEMBL3677462 |
OBDepict
O
N
H
S
O
O
N
S
S
O
O
H
2
N
|
IC50 |
= |
10.0 |
nM |
493.63 |
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccccc3)cc2s1)S(=O)(=O)CC1CC1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677498 |
OBDepict
CH
3
N
O
N
N
H
O
S
O
O
H
3
C
S
N
F
|
IC50 |
= |
11.0 |
nM |
460.51 |
Cc1nnc(CNC(=O)C(c2nc3cc(F)c(-c4ccccc4)cc3s2)S(C)(=O)=O)o1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3672638 |
OBDepict
CH
3
O
O
S
N
S
O
O
H
3
C
HN
O
S
O
O
H
2
N
|
IC50 |
= |
11.0 |
nM |
527.65 |
COCCOc1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc3c2)cc1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677463 |
OBDepict
O
NH
S
O
O
F
N
S
S
O
O
H
2
N
|
IC50 |
= |
11.0 |
nM |
547.66 |
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccccc3)cc2s1)S(=O)(=O)Cc1ccc(F)cc1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677480 |
OBDepict
F
N
S
S
O
O
F
F
F
N
H
O
S
O
O
H
2
N
|
IC50 |
= |
11.0 |
nM |
553.58 |
NS(=O)(=O)CCNC(=O)C(c1nc2cc(F)c(-c3ccccc3)cc2s1)S(=O)(=O)CCC(F)(F)F |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677475 |
OBDepict
F
N
H
3
C
S
N
S
O
O
H
3
C
CH
3
NH
O
S
O
O
NH
2
|
IC50 |
= |
12.0 |
nM |
528.65 |
Cc1cc2nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC(C)C)sc2cc1-c1ccc(F)nc1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677474 |
OBDepict
F
N
H
3
C
S
N
S
O
O
F
F
F
NH
O
S
O
O
NH
2
|
IC50 |
= |
13.0 |
nM |
568.6 |
Cc1cc2nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc2cc1-c1ccc(F)nc1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3682495 |
OBDepict
O
NH
S
O
O
CH
3
N
S
S
O
O
H
2
N
F
N
|
IC50 |
= |
13.0 |
nM |
472.55 |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2cc(-c3cccnc3F)ccc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677492 |
OBDepict
CH
3
O
S
O
O
N
S
NH
O
S
O
O
H
2
N
N
O
CH
3
|
IC50 |
= |
13.0 |
nM |
528.63 |
COCCS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccnc(OC)c3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677525 |
OBDepict
O
NH
S
O
O
CH
3
N
S
S
O
O
H
2
N
N
OH
|
IC50 |
= |
13.0 |
nM |
470.55 |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccnc(O)c3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3682466 |
OBDepict
O
NH
S
O
O
CH
3
N
S
S
O
O
H
2
N
F
|
IC50 |
= |
13.7 |
nM |
471.56 |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2cc(-c3ccccc3F)ccc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677539 |
OBDepict
F
Cl
S
N
S
O
O
CH
3
N
H
O
S
O
O
H
2
N
|
IC50 |
= |
13.9 |
nM |
506.0 |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3cc(F)cc(Cl)c3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3672640 |
OBDepict
_
C
+
N
S
N
S
O
O
H
3
C
HN
O
S
O
O
H
2
N
|
IC50 |
= |
14.0 |
nM |
478.58 |
[C-]#[N+]c1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc3c2)cc1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677584 |
OBDepict
O
N
H
S
O
O
CH
3
N
S
S
O
O
H
2
N
|
IC50 |
= |
14.7 |
nM |
515.64 |
CS(=O)(=O)C(C(=O)NCc1cccc(S(N)(=O)=O)c1)c1nc2ccc(-c3ccccc3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677464 |
OBDepict
N
S
O
O
N
S
N
H
O
S
O
O
H
2
N
|
IC50 |
= |
15.0 |
nM |
554.68 |
N#Cc1cccc(CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c2nc3ccc(-c4ccccc4)cc3s2)c1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL4520847 |
OBDepict
O
NH
S
O
O
CH
3
N
S
S
O
O
H
2
N
|
IC50 |
= |
15.0 |
nM |
453.57 |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccccc3)cc2s1 |
Homo sapiens |
CHEMBL4390140 |
cell-based format |
CHEMBL3677555 |
OBDepict
O
HN
S
O
O
H
3
C
N
S
S
O
O
NH
2
N
O
N
H
3
C
|
IC50 |
= |
15.4 |
nM |
535.63 |
Cc1nnc(-c2ccc(-c3ccc4nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc4c3)cc2)o1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3682482 |
OBDepict
CH
3
O
O
N
S
S
O
O
H
3
C
HN
O
S
O
O
H
2
N
|
IC50 |
= |
15.5 |
nM |
527.65 |
COCCOc1ccc(-c2ccc3sc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)nc3c2)cc1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL4212095 |
OBDepict
O
N
H
OH
N
O
CH
3
Cl
Cl
|
IC50 |
= |
16.0 |
nM |
355.22 |
Cn1ccc(C(=O)NCCCc2ccc(Cl)c(Cl)c2)c(O)c1=O |
Homo sapiens |
CHEMBL4199685 |
cell-based format |
CHEMBL3672631 |
OBDepict
O
NH
S
O
O
CH
3
N
S
S
O
O
H
2
N
NH
O
F
F
F
|
IC50 |
= |
17.0 |
nM |
578.62 |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(C(=O)NCC(F)(F)F)cc3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677535 |
OBDepict
H
3
C
O
S
O
O
N
S
HN
O
N
O
N
H
3
C
|
IC50 |
= |
17.5 |
nM |
486.58 |
COCCS(=O)(=O)C(C(=O)NCc1nnc(C)o1)c1nc2ccc(-c3ccccc3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677478 |
OBDepict
H
3
C
O
S
O
O
S
N
HN
O
F
S
O
O
NH
2
|
IC50 |
= |
18.0 |
nM |
515.61 |
COCCS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2c(F)cc(-c3ccccc3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3682492 |
OBDepict
O
NH
S
O
O
CH
3
N
S
S
O
O
H
2
N
N
F
|
IC50 |
= |
18.5 |
nM |
472.55 |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2cc(-c3cccc(F)n3)ccc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3677561 |
OBDepict
CH
3
O
N
H
O
S
N
S
O
O
H
3
C
HN
O
O
N
H
3
C
H
3
C
|
IC50 |
= |
18.5 |
nM |
570.69 |
COCCNC(=O)c1ccc(-c2ccc3nc(C(C(=O)NCc4cc(C(C)C)no4)S(C)(=O)=O)sc3c2)cc1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL3672630 |
OBDepict
HO
HN
O
S
N
S
O
O
CH
3
NH
O
S
O
O
NH
2
|
IC50 |
= |
19.0 |
nM |
540.65 |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(C(=O)NCCO)cc3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL4475891 |
OBDepict
F
N
S
N
O
N
O
N
NH
S
O
O
NH
2
|
IC50 |
= |
20.0 |
nM |
434.43 |
NS(=O)(=O)NCc1nnc(C(=O)c2nc3ccc(-c4ccc(F)nc4)cc3s2)o1 |
Homo sapiens |
CHEMBL4325753 |
cell-based format |
CHEMBL3677503 |
OBDepict
F
N
S
S
O
O
N
O
N
H
O
S
O
O
H
2
N
|
IC50 |
= |
20.0 |
nM |
570.69 |
NS(=O)(=O)CCNC(=O)C(c1nc2cc(F)c(-c3ccccc3)cc2s1)S(=O)(=O)CCN1CCOCC1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL4581886 |
OBDepict
O
S
N
N
O
N
N
H
F
S
O
O
NH
2
HN
O
|
IC50 |
= |
20.0 |
nM |
488.48 |
NS(=O)(=O)NCc1nnc(C(=O)c2nc3cc(-c4ccc5c(c4)CNC5=O)c(F)cc3s2)o1 |
Homo sapiens |
CHEMBL4325753 |
cell-based format |
CHEMBL4460663 |
OBDepict
O
S
N
N
O
N
HN
F
S
O
O
NH
2
NH
O
|
IC50 |
= |
20.0 |
nM |
488.48 |
NS(=O)(=O)NCc1nnc(C(=O)c2nc3cc(F)c(-c4ccc5c(c4)CNC5=O)cc3s2)o1 |
Homo sapiens |
CHEMBL4325753 |
cell-based format |
CHEMBL3682497 |
OBDepict
O
NH
S
O
O
CH
3
N
S
S
O
O
H
2
N
F
N
F
|
IC50 |
= |
20.5 |
nM |
490.54 |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2cc(-c3ccc(F)nc3F)ccc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |
CHEMBL4468090 |
OBDepict
NH
2
S
N
H
O
O
N
O
N
S
O
O
N
S
|
IC50 |
= |
21.0 |
nM |
555.66 |
NS(=O)(=O)NCc1nnc(C(c2nc3ccc(-c4ccccc4)cc3s2)S(=O)(=O)Cc2ccccc2)o1 |
Homo sapiens |
CHEMBL4385276 |
cell-based format |
CHEMBL3677504 |
OBDepict
NH
2
S
O
O
N
S
NH
O
S
O
O
H
2
N
|
IC50 |
= |
22.0 |
nM |
482.61 |
NCCS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccccc3)cc2s1 |
Homo sapiens |
CHEMBL3707962 |
single protein format |