molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4587215 |
|
IC50 |
= |
260.0 |
nM |
427.51 |
CC(=O)c1ccc2nc(Sc3ccc(/C=C4SC(=O)N(C(C)C)C4=O)o3)[nH]c2c1 |
Homo sapiens |
CHEMBL4418809 |
cell-based format |
CHEMBL4541510 |
OBDepict
O
N
H
N
N
O
HO
CH
3
H
3
C
S
O
O
OH
|
IC50 |
= |
291.0 |
nM |
441.47 |
Cc1ccc(C)n1-c1cc(C(=O)N/N=Cc2ccc(S(=O)(=O)O)cc2)ccc1C(=O)O |
Homo sapiens |
CHEMBL4476912 |
single protein format |
CHEMBL4483527 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
H
CH
3
NH
H
CH
3
N
N
H
3
C
|
IC50 |
< |
300.0 |
nM |
524.72 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4cnn(C)c4)ccc3s1)C[C@@H](C)N[C@@H]2C |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4577279 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
H
CH
3
NH
H
CH
3
N
N
H
3
C
|
IC50 |
< |
300.0 |
nM |
524.72 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4cnn(C)c4)ccc3s1)C[C@@H](C)N[C@H]2C |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4547153 |
OBDepict
CH
3
O
HN
HN
O
S
S
N
NH
N
|
IC50 |
< |
300.0 |
nM |
441.58 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3c(C#N)cccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4580939 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
NH
H
CH
3
F
|
IC50 |
< |
300.0 |
nM |
448.59 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(F)ccc3s1)C[C@H](C)NC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4513466 |
OBDepict
CH
3
HN
CH
3
H
HN
O
S
N
S
N
H
3
C
CH
3
F
F
F
|
IC50 |
< |
300.0 |
nM |
524.68 |
CC[C@@H](C)NCCC(=O)Nc1sc2c(c1-c1nc3cc(C(F)(F)F)ccc3s1)CCN(C(C)C)C2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4558417 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
N
H
3
C
CH
3
F
F
F
|
IC50 |
< |
300.0 |
nM |
526.65 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(C(F)(F)F)ccc3s1)CCN(C(C)C)C2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4575222 |
OBDepict
CH
3
HN
CH
3
HN
O
S
S
N
NH
H
3
C
H
3
C
|
IC50 |
< |
300.0 |
nM |
442.65 |
CCC(C)NCCC(=O)Nc1sc2c(c1-c1nc3cc(C)c(C)cc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4562871 |
OBDepict
H
3
C
NH
H
3
C
H
NH
O
S
N
S
HN
N
|
IC50 |
< |
300.0 |
nM |
491.69 |
CC[C@H](C)NCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4ccncc4)ccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4549257 |
OBDepict
H
3
C
N
H
H
3
C
HN
O
S
N
S
NH
N
H
S
O
O
CH
3
|
IC50 |
< |
300.0 |
nM |
493.68 |
CC(C)NCCC(=O)Nc1sc2c(c1-c1nc3cc(NS(C)(=O)=O)ccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4592802 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
H
CH
3
NH
H
CH
3
F
F
F
|
IC50 |
< |
300.0 |
nM |
512.62 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(C(F)(F)F)ccc3s1)C[C@@H](C)N[C@@H]2C |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4561398 |
OBDepict
H
3
C
N
H
H
3
C
HN
O
S
S
N
NH
N
N
H
3
C
|
IC50 |
< |
300.0 |
nM |
480.66 |
CC(C)NCCC(=O)Nc1sc2c(c1-c1nc3c(-c4cnn(C)c4)cccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4566946 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
H
CH
3
NH
H
CH
3
F
F
F
|
IC50 |
< |
300.0 |
nM |
512.62 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(C(F)(F)F)ccc3s1)C[C@@H](C)N[C@H]2C |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4533917 |
OBDepict
CH
3
HN
CH
3
H
HN
O
S
N
S
N
H
3
C
N
|
IC50 |
< |
300.0 |
nM |
519.74 |
CC[C@H](C)NCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4ccncc4)ccc3s1)CCN(CC)C2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4549979 |
OBDepict
CH
3
HN
CH
3
H
HN
O
S
N
S
NH
H
CH
3
N
|
IC50 |
< |
300.0 |
nM |
505.71 |
CC[C@H](C)NCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4ccncc4)ccc3s1)C[C@@H](C)NC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4573407 |
OBDepict
H
3
C
NH
H
3
C
H
NH
O
S
N
S
H
H
3
C
HN
N
|
IC50 |
< |
300.0 |
nM |
505.71 |
CC[C@H](C)NCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4ccncc4)ccc3s1)CCN[C@@H]2C |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4551851 |
OBDepict
CH
3
HN
CH
3
H
HN
O
S
N
S
N
N
|
IC50 |
< |
300.0 |
nM |
545.78 |
CC[C@H](C)NCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4ccncc4)ccc3s1)CCN(C1CCC1)C2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4550985 |
OBDepict
CH
3
O
HN
HN
O
S
S
N
NH
HO
|
IC50 |
< |
300.0 |
nM |
446.6 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3c(CO)cccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4536261 |
OBDepict
CH
3
O
N
H
NH
O
S
S
N
HN
CH
3
|
IC50 |
< |
300.0 |
nM |
444.63 |
CCc1cccc2sc(-c3c(NC(=O)CCNCCOC)sc4c3CCNC4)nc12 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4567415 |
OBDepict
H
3
C
O
HN
NH
O
S
S
N
N
H
NH
O
|
IC50 |
< |
300.0 |
nM |
487.65 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3c(NC4COC4)cccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4554890 |
OBDepict
O
NH
S
NH
N
S
H
N
H
H
H
HN
N
|
IC50 |
< |
300.0 |
nM |
544.75 |
O=C(CCN[C@H]1C[C@@H]2CNC[C@@H]2C1)Nc1sc2c(c1-c1nc3cc(-c4ccncc4)ccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4549524 |
OBDepict
CH
3
N
H
H
3
C
N
O
H
S
N
S
NH
|
IC50 |
< |
300.0 |
nM |
415.59 |
CCC(C)NCCC(=O)[15NH]c1sc2c(c1-c1nc3ccccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4551934 |
OBDepict
H
3
C
N
H
H
3
C
HN
O
S
S
N
NH
Br
|
IC50 |
< |
300.0 |
nM |
479.47 |
CC(C)NCCC(=O)Nc1sc2c(c1-c1nc3c(Br)cccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4560685 |
OBDepict
CH
3
O
HN
HN
O
S
S
N
NH
F
F
F
|
IC50 |
< |
300.0 |
nM |
484.57 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3c(C(F)(F)F)cccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4545620 |
OBDepict
CH
3
O
N
H
NH
O
S
S
N
HN
N
HO
|
IC50 |
< |
300.0 |
nM |
487.65 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3c(N4CC(O)C4)cccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4544515 |
OBDepict
H
3
C
N
H
CH
3
H
HN
O
S
N
S
N
N
|
IC50 |
< |
300.0 |
nM |
531.75 |
CC[C@H](C)NCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4ccncc4)ccc3s1)CCN(C1CC1)C2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4575529 |
OBDepict
H
3
C
NH
H
3
C
H
NH
O
S
N
S
H
H
3
C
HN
H
H
3
C
|
IC50 |
< |
300.0 |
nM |
442.65 |
CC[C@H](C)NCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)C[C@H](C)N[C@@H]2C |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4574327 |
OBDepict
CH
3
O
HN
HN
O
S
S
N
NH
N
|
IC50 |
< |
300.0 |
nM |
485.68 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3c(N4CCCC4)cccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4571236 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
CH
3
NH
H
3
C
|
IC50 |
<= |
300.0 |
nM |
444.63 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC(C)NC2C |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4582257 |
OBDepict
H
3
C
O
NH
NH
O
S
S
N
HN
N
CH
3
N
|
IC50 |
<= |
300.0 |
nM |
496.66 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3c(-n4ccnc4C)cccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4522160 |
OBDepict
CH
3
O
HN
HN
O
S
O
N
NH
CH
3
|
IC50 |
<= |
300.0 |
nM |
414.53 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3c(C)cccc3o1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4537380 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
NH
H
CH
3
F
|
IC50 |
< |
300.0 |
nM |
448.59 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(F)ccc3s1)C[C@@H](C)NC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4513904 |
OBDepict
O
N
H
N
H
S
N
S
N
H
|
IC50 |
< |
300.0 |
nM |
370.5 |
O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2)C1CNC1 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4555792 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
H
CH
3
NH
H
CH
3
N
|
IC50 |
< |
300.0 |
nM |
521.71 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3ccc(-c4ccncc4)cc3s1)C[C@@H](C)N[C@H]2C |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4526764 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
NH
N
N
H
|
IC50 |
< |
300.0 |
nM |
482.64 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3ccc(-c4cc[nH]n4)cc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4534987 |
OBDepict
H
3
C
N
H
H
3
C
HN
O
S
N
S
H
CH
3
NH
H
CH
3
|
IC50 |
< |
300.0 |
nM |
428.63 |
CC(C)NCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)C[C@H](C)N[C@@H]2C |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4591866 |
OBDepict
CH
3
O
N
H
N
H
O
S
N
S
N
H
S
O
O
H
3
C
|
IC50 |
<= |
300.0 |
nM |
570.76 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4cccc(S(C)(=O)=O)c4)ccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4526886 |
OBDepict
O
HN
S
N
N
S
N
H
3
C
CH
3
|
IC50 |
<= |
300.0 |
nM |
440.64 |
CC(C)N1CCc2c(sc(NC(=O)CCN3CCC3)c2-c2nc3ccccc3s2)C1 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4551818 |
OBDepict
H
3
C
O
N
H
HN
O
S
N
S
NH
N
N
O
|
IC50 |
<= |
300.0 |
nM |
578.76 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4ccc(N5CCOCC5)nc4)ccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4583624 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
NH
N
H
3
C
N
H
|
IC50 |
<= |
300.0 |
nM |
496.66 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4c[nH]nc4C)ccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4522328 |
OBDepict
O
NH
S
N
H
N
S
N
CH
3
H
3
C
|
IC50 |
<= |
300.0 |
nM |
468.69 |
CC(C)N1CCc2c(sc(NC(=O)CCNC3CCCC3)c2-c2nc3ccccc3s2)C1 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4551963 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
NH
N
NH
2
|
IC50 |
<= |
300.0 |
nM |
508.67 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3ccc(-c4ccnc(N)c4)cc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4585493 |
OBDepict
H
3
C
N
H
H
3
C
HN
O
S
N
S
NH
N
O
|
IC50 |
< |
300.0 |
nM |
485.68 |
CC(C)NCCC(=O)Nc1sc2c(c1-c1nc3cc(N4CCOCC4)ccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4566459 |
OBDepict
H
3
C
O
N
H
HN
O
S
N
S
NH
N
N
N
O
|
IC50 |
<= |
300.0 |
nM |
579.75 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4cnc(N5CCOCC5)nc4)ccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4518350 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
H
CH
3
NH
H
CH
3
N
|
IC50 |
< |
300.0 |
nM |
521.71 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3ccc(-c4cccnc4)cc3s1)C[C@@H](C)N[C@H]2C |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4571016 |
OBDepict
H
3
C
O
NH
NH
O
S
N
S
HN
N
N
|
IC50 |
<= |
300.0 |
nM |
494.65 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3ccc(-c4cncnc4)cc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4515931 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
NH
F
N
O
CH
3
H
3
C
|
IC50 |
<= |
300.0 |
nM |
581.74 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3ccc(-c4ccc(C(=O)N(C)C)cc4F)cc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4517842 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
NH
N
H
3
C
N
H
3
C
|
IC50 |
<= |
300.0 |
nM |
510.69 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4cnn(C)c4C)ccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4565030 |
OBDepict
CH
3
N
H
CH
3
NH
O
S
S
N
HN
HN
O
CH
3
|
IC50 |
<= |
300.0 |
nM |
457.63 |
CC(=O)Nc1cccc2sc(-c3c(NC(=O)CCNC(C)C)sc4c3CCNC4)nc12 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4533570 |
OBDepict
CH
3
HN
HN
O
S
N
S
N
H
3
C
CH
3
|
IC50 |
<= |
300.0 |
nM |
428.63 |
CCNCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)C)C2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4587342 |
OBDepict
CH
3
O
HN
HN
O
S
S
N
NH
N
O
H
3
C
|
IC50 |
<= |
300.0 |
nM |
523.68 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4ccnc(OC)c4)ccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4513912 |
OBDepict
CH
3
O
HN
HN
O
S
S
N
NH
N
O
H
3
C
|
IC50 |
<= |
300.0 |
nM |
523.68 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3ccc(-c4ccnc(OC)c4)cc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4540945 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
NH
N
H
3
C
|
IC50 |
<= |
300.0 |
nM |
507.69 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3ccc(-c4ccc(C)nc4)cc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4532903 |
OBDepict
H
3
C
O
N
H
HN
O
S
N
S
NH
F
N
O
CH
3
H
3
C
|
IC50 |
<= |
300.0 |
nM |
581.74 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4ccc(C(=O)N(C)C)cc4F)ccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4542456 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
NH
N
CH
3
|
IC50 |
<= |
300.0 |
nM |
507.69 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3ccc(-c4ccnc(C)c4)cc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4553310 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
H
CH
3
NH
H
CH
3
N
|
IC50 |
< |
300.0 |
nM |
521.71 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4ccncc4)ccc3s1)C[C@@H](C)N[C@@H]2C |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4579080 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
NH
N
F
F
F
|
IC50 |
<= |
300.0 |
nM |
561.66 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4cncc(C(F)(F)F)c4)ccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4579907 |
OBDepict
CH
3
N
CH
3
HN
O
S
N
S
N
H
3
C
CH
3
|
IC50 |
<= |
300.0 |
nM |
442.65 |
CCN(C)CCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)C)C2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4583462 |
OBDepict
O
NH
S
NH
N
S
H
N
H
H
H
HN
|
IC50 |
<= |
300.0 |
nM |
467.66 |
O=C(CCN[C@H]1C[C@@H]2CNC[C@@H]2C1)Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4582354 |
OBDepict
CH
3
O
N
H
N
H
O
S
N
S
N
H
S
O
O
NH
2
|
IC50 |
<= |
300.0 |
nM |
571.75 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3ccc(-c4cccc(S(N)(=O)=O)c4)cc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4560877 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
NH
N
CH
3
N
H
|
IC50 |
<= |
300.0 |
nM |
496.66 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3ccc(-c4c[nH]nc4C)cc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4551129 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
NH
N
H
3
C
N
|
IC50 |
<= |
300.0 |
nM |
546.72 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4ccc5cnn(C)c5c4)ccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4513508 |
OBDepict
H
3
C
O
NH
N
H
O
S
N
S
N
H
S
N
H
O
O
H
3
C
|
IC50 |
<= |
300.0 |
nM |
585.78 |
CNS(=O)(=O)c1cccc(-c2ccc3nc(-c4c(NC(=O)CCNCCOC)sc5c4CCNC5)sc3c2)c1 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4526959 |
OBDepict
CH
3
HN
CH
3
H
HN
O
S
N
S
N
H
3
C
CH
3
F
F
F
|
IC50 |
<= |
300.0 |
nM |
524.68 |
CC[C@H](C)NCCC(=O)Nc1sc2c(c1-c1nc3cc(C(F)(F)F)ccc3s1)CCN(C(C)C)C2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4554002 |
OBDepict
O
N
H
H
N
H
S
N
S
HN
|
IC50 |
<= |
300.0 |
nM |
398.56 |
O=C(C[C@H]1CCCN1)Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4532611 |
OBDepict
CH
3
O
N
H
N
H
O
S
N
S
N
H
S
O
O
H
2
N
|
IC50 |
<= |
300.0 |
nM |
571.75 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4cccc(S(N)(=O)=O)c4)ccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4581070 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
H
CH
3
NH
H
CH
3
N
|
IC50 |
< |
300.0 |
nM |
521.71 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4ccncc4)ccc3s1)C[C@@H](C)N[C@H]2C |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4545081 |
OBDepict
H
3
C
N
H
NH
O
S
N
S
N
CH
3
H
3
C
|
IC50 |
<= |
300.0 |
nM |
442.65 |
CCCNCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)C)C2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4536244 |
OBDepict
H
3
C
O
N
H
HN
O
S
N
S
NH
N
N
H
3
C
|
IC50 |
<= |
300.0 |
nM |
590.82 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4547562 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
NH
N
H
3
C
N
|
IC50 |
<= |
300.0 |
nM |
496.66 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4ccnn4C)ccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4569863 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
H
CH
3
NH
H
CH
3
|
IC50 |
<= |
300.0 |
nM |
444.63 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)C[C@@H](C)N[C@H]2C |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4569366 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
NH
N
H
3
C
|
IC50 |
<= |
300.0 |
nM |
507.69 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4cncc(C)c4)ccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4537387 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
NH
N
NH
O
H
3
C
|
IC50 |
<= |
300.0 |
nM |
550.71 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3ccc(-c4ccnc(NC(C)=O)c4)cc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4559993 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
H
CH
3
NH
H
CH
3
|
IC50 |
<= |
300.0 |
nM |
444.63 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)C[C@H](C)N[C@@H]2C |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4520541 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
NH
N
N
H
2
N
|
IC50 |
<= |
300.0 |
nM |
509.66 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3ccc(-c4cnc(N)nc4)cc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4589225 |
OBDepict
H
3
C
O
NH
NH
O
S
N
S
HN
N
N
H
CH
3
|
IC50 |
<= |
300.0 |
nM |
496.66 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4cc(C)[nH]n4)ccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4529641 |
OBDepict
H
3
C
N
H
H
3
C
HN
O
S
S
N
NH
HN
O
N
|
IC50 |
<= |
300.0 |
nM |
520.68 |
CC(C)NCCC(=O)Nc1sc2c(c1-c1nc3cc(C(=O)Nc4cccnc4)ccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4566615 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
H
CH
3
NH
H
CH
3
N
|
IC50 |
< |
300.0 |
nM |
521.71 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4cccnc4)ccc3s1)C[C@@H](C)N[C@@H]2C |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4580356 |
OBDepict
H
3
C
NH
CH
3
HN
O
S
N
S
N
H
N
S
N
O
O
CH
3
H
3
C
|
IC50 |
<= |
300.0 |
nM |
588.83 |
CC(C)NCCC(=O)Nc1sc2c(c1-c1nc3cc(C4=CCN(S(=O)(=O)N(C)C)CC4)ccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4522993 |
OBDepict
CH
3
S
N
S
NH
S
O
HN
N
H
CH
3
H
3
C
|
IC50 |
<= |
300.0 |
nM |
446.67 |
CSc1ccc2sc(-c3c(NC(=O)CCNC(C)C)sc4c3CCNC4)nc2c1 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4586406 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
NH
N
F
|
IC50 |
<= |
300.0 |
nM |
511.65 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3ccc(-c4ccc(F)nc4)cc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4550792 |
OBDepict
H
3
C
NH
O
S
N
S
HN
N
|
IC50 |
<= |
300.0 |
nM |
406.54 |
CC(=O)Nc1sc2c(c1-c1nc3cc(-c4ccncc4)ccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4558931 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
NH
N
NH
2
|
IC50 |
<= |
300.0 |
nM |
508.67 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3ccc(-c4cncc(N)c4)cc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4540352 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
NH
N
F
F
F
|
IC50 |
<= |
300.0 |
nM |
561.66 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4ccnc(C(F)(F)F)c4)ccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4533963 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
NH
N
H
3
C
|
IC50 |
<= |
300.0 |
nM |
507.69 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4ccnc(C)c4)ccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4545782 |
OBDepict
H
3
C
NH
O
S
N
S
HN
N
N
CH
3
|
IC50 |
<= |
300.0 |
nM |
409.54 |
CC(=O)Nc1sc2c(c1-c1nc3ccc(-c4cnn(C)c4)cc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4532399 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
NH
N
H
S
O
O
CH
3
|
IC50 |
<= |
300.0 |
nM |
585.78 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3ccc(-c4cccc(NS(C)(=O)=O)c4)cc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4582419 |
OBDepict
H
3
C
NH
O
S
N
S
HN
N
N
CH
3
|
IC50 |
<= |
300.0 |
nM |
409.54 |
CC(=O)Nc1sc2c(c1-c1nc3cc(-c4cnn(C)c4)ccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4587900 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
H
CH
3
NH
H
CH
3
N
|
IC50 |
< |
300.0 |
nM |
521.71 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4cccnc4)ccc3s1)C[C@@H](C)N[C@H]2C |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4564817 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
H
CH
3
NH
H
CH
3
N
|
IC50 |
<= |
300.0 |
nM |
521.71 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3ccc(-c4cccnc4)cc3s1)C[C@@H](C)N[C@@H]2C |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4519440 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
H
CH
3
NH
H
CH
3
N
|
IC50 |
<= |
300.0 |
nM |
521.71 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3ccc(-c4cccnc4)cc3s1)C[C@H](C)N[C@H]2C |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4584153 |
OBDepict
CH
3
O
O
N
S
NH
S
O
CH
3
HN
|
IC50 |
<= |
300.0 |
nM |
387.49 |
COC(=O)c1ccc2sc(-c3c(NC(C)=O)sc4c3CCNC4)nc2c1 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4529832 |
OBDepict
CH
3
HN
O
S
S
N
NH
CH
3
|
IC50 |
<= |
300.0 |
nM |
343.48 |
CC(=O)Nc1sc2c(c1-c1nc3c(C)cccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4531338 |
OBDepict
CH
3
HN
O
S
N
S
NH
H
3
C
|
IC50 |
<= |
300.0 |
nM |
343.48 |
CC(=O)Nc1sc2c(c1-c1nc3ccc(C)cc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4557486 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
NH
N
CH
3
N
H
3
C
|
IC50 |
<= |
300.0 |
nM |
510.69 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3ccc(-c4cnn(C)c4C)cc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4534807 |
OBDepict
CH
3
O
N
H
HN
O
S
N
S
H
NH
H
3
C
H
H
3
C
|
IC50 |
<= |
300.0 |
nM |
472.68 |
CC[C@@H]1N[C@H](CC)Cc2c1sc(NC(=O)CCNCCOC)c2-c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4528792 |
OBDepict
CH
3
O
HN
HN
O
S
N
S
NH
H
CH
3
|
IC50 |
<= |
300.0 |
nM |
430.6 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)C[C@H](C)NC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4566041 |
OBDepict
H
3
C
O
HN
HN
O
S
S
N
NH
N
O
O
H
3
C
|
IC50 |
<= |
300.0 |
nM |
567.74 |
COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4cncc(OCCOC)c4)ccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |
CHEMBL4581090 |
OBDepict
CH
3
N
H
H
3
C
HN
O
S
N
S
NH
|
IC50 |
<= |
300.0 |
nM |
440.64 |
CC(C)NCCC(=O)Nc1sc2c(c1-c1nc3cc(C4CC4)ccc3s1)CCNC2 |
Homo sapiens |
CHEMBL4476997 |
single protein format |