molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3956539 |
|
IC50 |
= |
0.18 |
nM |
458.57 |
C[C@@H]1NC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCCN(C)C)cc3n2[C@@H]1C |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL388978 |
OBDepict
CH
3
HN
H
H
O
H
O
N
H
3
C
H
3
C
N
O
N
H
|
IC50 |
= |
0.227 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328597 |
single protein format |
CHEMBL3945993 |
OBDepict
H
3
C
N
HN
N
O
N
H
3
C
CH
3
O
NH
|
IC50 |
= |
0.25 |
nM |
401.47 |
CCn1c(NC(=O)c2ccc3cc4n(c3c2)C(C)(C)CNC4=O)nc2ccccc21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3903528 |
OBDepict
CH
3
N
CH
3
N
N
H
N
O
N
H
3
C
CH
3
O
HN
|
IC50 |
= |
0.38 |
nM |
458.57 |
CN(C)CCCn1c(NC(=O)c2ccc3cc4n(c3c2)C(C)(C)CNC4=O)nc2ccccc21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3900064 |
OBDepict
O
N
H
N
N
N
H
H
3
C
O
NH
H
CH
3
|
IC50 |
= |
0.42 |
nM |
413.48 |
C[C@@H]1NC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)cc3n2[C@@H]1C |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3959915 |
OBDepict
O
NH
N
N
N
H
CH
3
NH
O
|
IC50 |
= |
0.59 |
nM |
359.39 |
CC1CNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5[nH]4)cc3n21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3955947 |
OBDepict
CH
3
N
N
H
N
O
N
H
3
C
O
N
H
|
IC50 |
= |
0.6 |
nM |
401.47 |
CCn1c(NC(=O)c2ccc3cc4n(c3c2)C(C)CCNC4=O)nc2ccccc21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL4109143 |
OBDepict
O
N
H
N
N
N
H
H
3
C
O
NH
|
IC50 |
= |
0.6 |
nM |
399.45 |
C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)cc3n21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3908561 |
OBDepict
O
N
H
N
N
N
CH
3
CH
3
CH
3
O
NH
|
IC50 |
= |
0.62 |
nM |
387.44 |
Cn1c(NC(=O)c2ccc3cc4n(c3c2)C(C)(C)CNC4=O)nc2ccccc21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3972132 |
OBDepict
H
3
C
N
HN
N
O
N
H
3
C
NH
O
|
IC50 |
= |
0.63 |
nM |
387.44 |
CCn1c(NC(=O)c2ccc3cc4n(c3c2)C(C)CNC4=O)nc2ccccc21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL4108521 |
OBDepict
CH
3
N
NH
N
O
N
H
CH
3
O
HN
H
H
3
C
|
IC50 |
= |
0.64 |
nM |
401.47 |
CCn1c(NC(=O)c2ccc3cc4n(c3c2)[C@@H](C)[C@@H](C)NC4=O)nc2ccccc21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL4113357 |
OBDepict
H
3
C
N
H
3
C
N
N
H
N
O
N
H
H
3
C
O
NH
|
IC50 |
= |
0.7 |
nM |
444.54 |
C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCCN(C)C)cc3n21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL4111661 |
OBDepict
O
NH
N
N
N
H
H
3
C
O
NH
|
IC50 |
= |
0.71 |
nM |
413.48 |
C[C@@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)cc3n21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3951802 |
OBDepict
O
N
H
N
N
N
H
H
3
C
O
NH
|
IC50 |
= |
0.77 |
nM |
373.42 |
CC1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5[nH]4)cc3n21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3985027 |
OBDepict
O
NH
N
N
N
H
CH
3
CH
3
O
NH
|
IC50 |
= |
0.89 |
nM |
373.42 |
CC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5[nH]4)cc3n21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL495727 |
OBDepict
O
NH
NH
N
N
H
N
N
H
N
O
|
IC50 |
= |
1.0 |
nM |
381.44 |
O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1 |
Homo sapiens |
CHEMBL1009904 |
single protein format |
CHEMBL1933280 |
OBDepict
H
3
C
N
N
H
N
O
N
O
N
H
|
IC50 |
= |
1.1 |
nM |
387.44 |
CCn1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2ccccc21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL1933288 |
OBDepict
H
3
C
N
H
3
C
N
N
H
N
O
N
H
H
3
C
O
NH
|
IC50 |
= |
1.1 |
nM |
458.57 |
C[C@@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCCN(C)C)cc3n21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3939884 |
OBDepict
H
3
C
N
H
3
C
N
N
H
N
O
N
CH
3
NH
O
|
IC50 |
= |
1.3 |
nM |
444.54 |
CC1CNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCCN(C)C)cc3n21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3942136 |
OBDepict
CH
3
N
CH
3
N
N
H
N
O
N
CH
3
O
HN
|
IC50 |
= |
1.3 |
nM |
458.57 |
CC1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCCN(C)C)cc3n21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL4112559 |
OBDepict
O
N
H
N
N
N
H
3
C
CH
3
H
H
3
C
O
NH
|
IC50 |
= |
1.4 |
nM |
415.5 |
CC(C)n1c(NC(=O)c2ccc3cc4n(c3c2)[C@H](C)CCNC4=O)nc2ccccc21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3918100 |
OBDepict
O
N
H
N
N
N
CH
3
H
3
C
O
NH
|
IC50 |
= |
1.6 |
nM |
387.44 |
CC1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4C)cc3n21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3900130 |
OBDepict
O
N
H
N
N
N
CH
3
H
3
C
CH
3
O
HN
|
IC50 |
= |
1.8 |
nM |
415.5 |
CC(C)n1c(NC(=O)c2ccc3cc4n(c3c2)C(C)CCNC4=O)nc2ccccc21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3963988 |
OBDepict
O
N
H
N
N
N
H
3
C
H
3
C
O
NH
|
IC50 |
= |
1.8 |
nM |
413.48 |
CC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)cc3n21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3904474 |
OBDepict
O
N
H
N
N
N
CH
3
H
3
C
H
CH
3
O
HN
H
H
3
C
|
IC50 |
= |
1.8 |
nM |
429.52 |
CC(C)n1c(NC(=O)c2ccc3cc4n(c3c2)[C@@H](C)[C@@H](C)CNC4=O)nc2ccccc21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL4113926 |
OBDepict
O
N
H
N
N
N
H
CH
3
O
HN
H
H
3
C
|
IC50 |
= |
1.9 |
nM |
413.48 |
C[C@H]1[C@@H](C)NC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)cc3n21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3980724 |
OBDepict
CH
3
H
3
C
N
N
N
H
O
N
O
NH
|
IC50 |
= |
1.9 |
nM |
427.51 |
Cc1cc(C)cc(Cn2cc(NC(=O)c3ccc4cc5n(c4c3)CCCNC5=O)cn2)c1 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL4109800 |
OBDepict
O
N
H
N
N
N
CH
3
H
3
C
H
H
3
C
O
N
H
|
IC50 |
= |
1.9 |
nM |
401.47 |
CC(C)n1c(NC(=O)c2ccc3cc4n(c3c2)[C@H](C)CNC4=O)nc2ccccc21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL1933278 |
OBDepict
O
N
H
N
N
N
O
HN
N
|
IC50 |
= |
1.9 |
nM |
400.44 |
O=C(Nc1cnn(Cc2ccncc2)c1)c1ccc2cc3n(c2c1)CCCNC3=O |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3910099 |
OBDepict
H
3
C
N
H
3
C
N
N
H
N
O
N
H
H
3
C
O
NH
H
CH
3
|
IC50 |
= |
2.0 |
nM |
472.59 |
C[C@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCCN(C)C)cc3n2[C@H]1C |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3965519 |
OBDepict
O
N
H
N
N
N
H
3
C
CH
3
H
3
C
H
3
C
O
NH
|
IC50 |
= |
2.0 |
nM |
429.52 |
CC(C)n1c(NC(=O)c2ccc3cc4n(c3c2)C(C)(C)CCNC4=O)nc2ccccc21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL4111985 |
OBDepict
H
3
C
N
H
3
C
N
N
H
N
O
N
H
H
3
C
O
NH
H
CH
3
|
IC50 |
= |
2.1 |
nM |
458.57 |
C[C@H]1[C@@H](C)NC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCCN(C)C)cc3n21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3966733 |
OBDepict
O
NH
N
N
N
H
3
C
H
3
C
N
H
O
O
NH
|
IC50 |
= |
2.1 |
nM |
448.53 |
CC1CCNC(=O)c2cc3ccc(C(=O)Nc4cn(C)c(C(=O)NC5CCCC5)n4)cc3n21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3969149 |
OBDepict
O
NH
N
N
N
H
3
C
CH
3
NH
O
|
IC50 |
= |
2.2 |
nM |
373.42 |
CC1CNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4C)cc3n21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3946668 |
OBDepict
Cl
N
N
H
N
H
O
N
CH
3
O
HN
|
IC50 |
= |
2.5 |
nM |
407.86 |
CC1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5cc(Cl)ccc5[nH]4)cc3n21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3917125 |
OBDepict
CH
3
N
N
N
N
H
N
H
O
N
O
HN
|
IC50 |
= |
2.6 |
nM |
457.54 |
CN1CCN(c2ccc3[nH]c(NC(=O)c4ccc5cc6n(c5c4)CCCNC6=O)nc3c2)CC1 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3916626 |
OBDepict
CH
3
N
N
H
N
H
O
N
O
HN
|
IC50 |
= |
3.0 |
nM |
373.42 |
Cc1ccc2[nH]c(NC(=O)c3ccc4cc5n(c4c3)CCCNC5=O)nc2c1 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL4107750 |
OBDepict
O
N
H
N
N
N
H
3
C
CH
3
H
CH
3
O
N
H
H
CH
3
|
IC50 |
= |
3.4 |
nM |
415.5 |
CC(C)n1c(NC(=O)c2ccc3cc4n(c3c2)[C@@H](C)[C@@H](C)NC4=O)nc2ccccc21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL4110776 |
OBDepict
CH
3
S
O
O
N
N
H
N
H
O
N
O
HN
|
IC50 |
= |
3.6 |
nM |
465.54 |
CCCS(=O)(=O)c1ccc2[nH]c(NC(=O)c3ccc4cc5n(c4c3)CCCNC5=O)nc2c1 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL1933142 |
OBDepict
O
HN
N
N
N
H
3
C
CH
3
CH
3
N
H
O
O
NH
|
IC50 |
= |
3.7 |
nM |
448.53 |
Cn1cc(NC(=O)c2ccc3cc4n(c3c2)C(C)(C)CNC4=O)nc1C(=O)NC1CCCC1 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3936149 |
OBDepict
O
N
H
N
N
N
O
HN
N
CH
3
CH
3
|
IC50 |
= |
3.8 |
nM |
442.52 |
CN(C)c1cccc(Cn2cc(NC(=O)c3ccc4cc5n(c4c3)CCCNC5=O)cn2)c1 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3916789 |
OBDepict
H
3
C
O
N
N
H
O
N
H
CH
3
O
NH
H
CH
3
|
IC50 |
= |
4.0 |
nM |
338.37 |
Cc1cc(NC(=O)c2ccc3cc4n(c3c2)[C@H](C)[C@H](C)NC4=O)no1 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3604793 |
OBDepict
CH
3
N
N
N
F
F
OH
|
IC50 |
= |
4.0 |
nM |
381.43 |
CN1CCN(c2ccc(-c3ccncc3-c3cc(F)c(O)c(F)c3)cc2)CC1 |
Homo sapiens |
CHEMBL4841340 |
assay format |
CHEMBL3298194 |
OBDepict
H
3
C
O
O
N
H
CH
3
O
CH
3
N
O
N
N
H
|
IC50 |
= |
4.0 |
nM |
416.44 |
COc1cc(Nc2nc3cccc(-c4cccc5[nH]cnc45)c3o2)cc(OC)c1OC |
Homo sapiens |
CHEMBL3368764 |
single protein format |
CHEMBL3921354 |
OBDepict
O
N
H
N
N
N
O
HN
|
IC50 |
= |
4.0 |
nM |
399.45 |
O=C(Nc1cnn(Cc2ccccc2)c1)c1ccc2cc3n(c2c1)CCCNC3=O |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3604794 |
OBDepict
OH
F
F
N
N
O
|
IC50 |
= |
4.0 |
nM |
368.38 |
Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F |
Homo sapiens |
CHEMBL4623000 |
single protein format |
CHEMBL4108963 |
OBDepict
H
3
C
N
N
N
H
O
N
H
CH
3
O
NH
H
CH
3
|
IC50 |
= |
4.3 |
nM |
337.38 |
C[C@H]1[C@@H](C)NC(=O)c2cc3ccc(C(=O)Nc4cnn(C)c4)cc3n21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL1938803 |
OBDepict
O
N
H
N
N
N
H
O
HN
|
IC50 |
= |
4.4 |
nM |
359.39 |
O=C(Nc1nc2ccccc2[nH]1)c1ccc2cc3n(c2c1)CCCNC3=O |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL1933287 |
OBDepict
H
3
C
N
N
H
N
N
O
N
O
N
H
|
IC50 |
= |
4.4 |
nM |
388.43 |
CCn1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2cccnc21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3941501 |
OBDepict
CH
3
N
N
H
N
O
H
3
C
N
O
N
H
|
IC50 |
= |
4.8 |
nM |
401.47 |
CCn1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2cc(C)ccc21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3955733 |
OBDepict
O
N
H
N
N
N
F
F
F
O
HN
|
IC50 |
= |
4.8 |
nM |
441.41 |
O=C(Nc1nc2ccccc2n1CC(F)(F)F)c1ccc2cc3n(c2c1)CCCNC3=O |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3912033 |
OBDepict
N
N
N
H
N
H
O
N
O
HN
|
IC50 |
= |
4.9 |
nM |
384.4 |
N#Cc1ccc2[nH]c(NC(=O)c3ccc4cc5n(c4c3)CCCNC5=O)nc2c1 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3961025 |
OBDepict
CH
3
N
NH
N
O
N
H
CH
3
O
HN
H
H
3
C
|
IC50 |
= |
5.0 |
nM |
401.47 |
CCn1c(NC(=O)c2ccc3cc4n(c3c2)[C@@H](C)[C@H](C)NC4=O)nc2ccccc21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3981684 |
OBDepict
H
3
C
N
N
N
H
O
N
CH
3
NH
O
|
IC50 |
= |
5.1 |
nM |
323.36 |
CC1CNC(=O)c2cc3ccc(C(=O)Nc4cnn(C)c4)cc3n21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3917267 |
OBDepict
F
N
N
H
N
H
O
N
O
NH
|
IC50 |
= |
5.2 |
nM |
377.38 |
O=C(Nc1nc2cc(F)ccc2[nH]1)c1ccc2cc3n(c2c1)CCCNC3=O |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3947009 |
OBDepict
O
N
H
N
N
N
OH
H
3
C
H
3
C
O
HN
|
IC50 |
= |
5.4 |
nM |
431.5 |
CC(C)(O)Cn1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2ccccc21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3924643 |
OBDepict
O
N
H
N
N
N
OH
H
3
C
H
3
C
CH
3
H
3
C
O
HN
|
IC50 |
= |
5.9 |
nM |
459.55 |
CC(C)(O)Cn1c(NC(=O)c2ccc3cc4n(c3c2)CC(C)(C)CNC4=O)nc2ccccc21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3904372 |
OBDepict
O
N
H
N
N
N
CH
3
H
3
C
H
3
C
HN
O
O
N
H
CH
3
CH
3
H
3
C
|
IC50 |
= |
6.0 |
nM |
436.52 |
Cn1cc(NC(=O)c2ccc3cc4n(c3c2)C(C)(C)CNC4=O)nc1C(=O)NC(C)(C)C |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3954642 |
OBDepict
O
N
H
N
N
N
H
O
HN
CH
3
CH
3
|
IC50 |
= |
6.2 |
nM |
401.47 |
CC(C)c1ccc2[nH]c(NC(=O)c3ccc4cc5n(c4c3)CCCNC5=O)nc2c1 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL4112688 |
OBDepict
H
3
C
O
N
N
H
O
N
H
CH
3
O
NH
|
IC50 |
= |
6.6 |
nM |
324.34 |
Cc1cc(NC(=O)c2ccc3cc4n(c3c2)[C@H](C)CNC4=O)no1 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL2064666 |
OBDepict
CH
3
O
HN
N
N
H
N
HN
Cl
H
O
H
H
O
H
2
N
H
|
IC50 |
= |
7.0 |
nM |
539.08 |
COc1c(Nc2ncc(Cl)c(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)n2)ccc2c1CC[C@@H](N1CCOCC1)CC2 |
Homo sapiens |
CHEMBL2067598 |
single protein format |
CHEMBL3909595 |
OBDepict
O
N
H
N
N
N
H
3
C
CH
3
CH
3
N
H
O
|
IC50 |
= |
7.3 |
nM |
401.47 |
CC(C)n1c(NC(=O)c2ccc3cc4n(c3c2)C(C)CNC4=O)nc2ccccc21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL1933149 |
OBDepict
O
N
H
N
N
N
O
HN
|
IC50 |
= |
7.4 |
nM |
405.5 |
O=C(Nc1cnn(CC2CCCCC2)c1)c1ccc2cc3n(c2c1)CCCNC3=O |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3979890 |
OBDepict
H
3
C
NH
N
O
N
H
O
N
N
|
IC50 |
= |
7.6 |
nM |
413.48 |
CC1CNC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)cc3n2C1 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3893357 |
OBDepict
O
N
H
N
N
N
O
NH
CH
3
|
IC50 |
= |
7.9 |
nM |
413.48 |
Cc1ccccc1Cn1cc(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)cn1 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3973993 |
OBDepict
O
NH
N
N
H
CH
3
NH
O
|
IC50 |
= |
8.0 |
nM |
358.4 |
CC1CNC(=O)c2cc3ccc(C(=O)Nc4cc5ccccc5[nH]4)cc3n21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3907067 |
OBDepict
Cl
N
N
H
N
H
O
N
O
NH
|
IC50 |
= |
8.0 |
nM |
393.83 |
O=C(Nc1nc2cc(Cl)ccc2[nH]1)c1ccc2cc3n(c2c1)CCCNC3=O |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL4110640 |
OBDepict
O
N
H
N
N
H
H
3
C
N
N
O
N
H
H
H
3
C
H
3
C
CH
3
|
IC50 |
= |
8.1 |
nM |
416.49 |
CC(C)n1ncc2cc(NC(=O)c3ccc4cc5n(c4c3)[C@@H](C)[C@@H](C)NC5=O)cnc21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3950889 |
OBDepict
H
3
C
NH
N
O
N
H
O
N
N
CH
3
|
IC50 |
= |
8.2 |
nM |
387.44 |
CC1CNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4C)cc3n2C1 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3977541 |
OBDepict
O
NH
N
O
NH
2
CH
3
CH
3
O
NH
|
IC50 |
= |
8.2 |
nM |
376.42 |
CC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4ccccc4C(N)=O)cc3n21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3964098 |
OBDepict
H
3
C
N
H
3
C
N
N
H
N
O
N
H
CH
3
O
NH
H
CH
3
|
IC50 |
= |
8.5 |
nM |
458.57 |
C[C@@H]1NC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCCN(C)C)cc3n2[C@H]1C |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3936241 |
OBDepict
Cl
N
N
N
H
N
H
O
O
N
O
NH
|
IC50 |
= |
8.7 |
nM |
492.97 |
O=C(Nc1nc2cc(Cl)cc(CN3CCOCC3)c2[nH]1)c1ccc2cc3n(c2c1)CCCNC3=O |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL1933279 |
OBDepict
O
N
H
N
N
N
H
3
C
O
HN
|
IC50 |
= |
9.0 |
nM |
373.42 |
Cn1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2ccccc21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3893525 |
OBDepict
O
N
H
N
N
N
CH
3
N
H
O
O
HN
|
IC50 |
= |
9.0 |
nM |
434.5 |
Cn1cc(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc1C(=O)NC1CCCC1 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3899642 |
OBDepict
CH
3
O
N
N
N
H
O
N
O
HN
|
IC50 |
= |
9.1 |
nM |
351.37 |
COc1cc(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)ncn1 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3949573 |
OBDepict
H
3
C
N
CH
3
N
N
H
N
O
N
O
HN
|
IC50 |
= |
9.25 |
nM |
470.58 |
CN(C)CCCn1c(NC(=O)c2ccc3cc4n(c3c2)CC2(CC2)CNC4=O)nc2ccccc21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3944581 |
OBDepict
O
NH
N
N
N
H
H
3
C
O
NH
H
CH
3
|
IC50 |
= |
9.3 |
nM |
427.51 |
C[C@H]1CNC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)cc3n2[C@H]1C |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3952504 |
OBDepict
H
3
C
N
S
HN
O
N
O
NH
|
IC50 |
= |
10.0 |
nM |
390.47 |
Cc1nc2ccc(NC(=O)c3ccc4cc5n(c4c3)CCCNC5=O)cc2s1 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3938082 |
OBDepict
CH
3
N
N
N
H
O
N
CH
3
O
HN
|
IC50 |
= |
10.0 |
nM |
337.38 |
CC1CCNC(=O)c2cc3ccc(C(=O)Nc4cnn(C)c4)cc3n21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3891520 |
OBDepict
O
N
H
N
N
N
H
H
3
C
O
NH
H
CH
3
|
IC50 |
= |
10.0 |
nM |
413.48 |
C[C@@H]1NC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)cc3n2[C@H]1C |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3297951 |
OBDepict
H
3
C
O
O
N
H
H
N
H
N
O
F
O
H
3
C
|
IC50 |
= |
10.0 |
nM |
449.48 |
COc1ccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)cc1O[C@H]1CCNC1 |
Homo sapiens |
CHEMBL3368764 |
single protein format |
CHEMBL6291 |
OBDepict
H
2
N
S
NH
N
O
N
H
O
N
H
3
C
|
IC50 |
= |
10.0 |
nM |
457.56 |
Cn1cc(C2=C(c3cn(CCCSC(=N)N)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
Homo sapiens |
CHEMBL3783584 |
single protein format |
CHEMBL3968264 |
OBDepict
H
3
C
HN
O
N
S
NH
CH
3
H
3
C
O
N
CH
3
N
H
O
|
IC50 |
= |
10.9 |
nM |
453.57 |
CCCNC(=O)c1nc(NC(=O)c2ccc3cc4n(c3c2)C(C)CNC4=O)sc1C(C)C |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3952605 |
OBDepict
CH
3
N
CH
3
N
N
H
N
O
N
O
N
H
|
IC50 |
= |
11.0 |
nM |
484.6 |
CN(C)CCCn1c(NC(=O)c2ccc3cc4n(c3c2)CC2(CCC2)CNC4=O)nc2ccccc21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL1933148 |
OBDepict
CH
3
N
N
HN
O
N
O
HN
|
IC50 |
= |
11.0 |
nM |
323.36 |
Cn1cc(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)cn1 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3931737 |
OBDepict
O
HN
N
O
NH
2
CH
3
O
HN
|
IC50 |
= |
11.0 |
nM |
376.42 |
CC1CCNC(=O)c2cc3ccc(C(=O)Nc4ccccc4C(N)=O)cc3n21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3923698 |
OBDepict
CH
3
H
3
C
N
N
NH
O
N
O
HN
|
IC50 |
= |
11.0 |
nM |
379.46 |
CC(C)CCn1cc(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)cn1 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3921790 |
OBDepict
O
HN
N
N
N
O
NH
|
IC50 |
= |
11.0 |
nM |
425.49 |
O=C(Nc1cnn(Cc2ccccc2)c1)c1ccc2cc3n(c2c1)CC1(CC1)CNC3=O |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL1933285 |
OBDepict
CH
3
N
N
H
N
O
Cl
N
O
N
H
|
IC50 |
= |
12.0 |
nM |
421.89 |
CCn1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2ccc(Cl)cc21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL4110939 |
OBDepict
CH
3
O
N
HN
O
N
H
CH
3
O
HN
|
IC50 |
= |
12.0 |
nM |
338.37 |
Cc1cc(NC(=O)c2ccc3cc4n(c3c2)[C@H](C)CCNC4=O)no1 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3905749 |
OBDepict
CH
3
O
N
HN
O
N
CH
3
O
HN
|
IC50 |
= |
12.0 |
nM |
338.37 |
Cc1cc(NC(=O)c2ccc3cc4n(c3c2)C(C)CCNC4=O)no1 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3911905 |
OBDepict
H
3
C
N
H
3
C
N
N
H
N
O
N
CH
3
O
NH
|
IC50 |
= |
13.0 |
nM |
458.57 |
CC1CNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCCN(C)C)cc3n2C1 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL1933289 |
OBDepict
H
3
C
N
H
3
C
N
N
H
N
O
N
H
H
3
C
O
NH
|
IC50 |
= |
14.0 |
nM |
458.57 |
C[C@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCCN(C)C)cc3n21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3892648 |
OBDepict
O
N
H
N
N
N
CH
3
H
3
C
O
HN
|
IC50 |
= |
14.0 |
nM |
351.41 |
CC(C)n1cc(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)cn1 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3919317 |
OBDepict
CH
3
N
N
N
H
N
O
N
O
NH
|
IC50 |
= |
14.0 |
nM |
456.55 |
CN1CCC(n2c(NC(=O)c3ccc4cc5n(c4c3)CCCNC5=O)nc3ccccc32)CC1 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3779984 |
OBDepict
OH
N
N
O
F
N
N
CH
3
H
3
C
H
3
C
|
IC50 |
= |
15.0 |
nM |
370.43 |
Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N(C)C)c23)cc1 |
Homo sapiens |
CHEMBL3783586 |
assay format |
CHEMBL3923687 |
OBDepict
H
3
C
N
H
3
C
N
N
H
N
O
N
H
H
3
C
O
NH
|
IC50 |
= |
15.0 |
nM |
444.54 |
C[C@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCCN(C)C)cc3n21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3938374 |
OBDepict
O
N
H
O
N
N
CH
3
CH
3
O
HN
|
IC50 |
= |
15.0 |
nM |
400.44 |
CC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4cc(-c5ccccc5)no4)cc3n21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3937135 |
OBDepict
CH
3
N
CH
3
N
N
H
N
O
N
O
NH
O
|
IC50 |
= |
16.0 |
nM |
514.63 |
CN(C)CCCn1c(NC(=O)c2ccc3cc4n(c3c2)CC2(CCOCC2)CNC4=O)nc2ccccc21 |
Homo sapiens |
CHEMBL3887327 |
single protein format |
CHEMBL3910435 |
OBDepict
CH
3
N
O
NH
O
N
O
HN
|
IC50 |
= |
16.0 |
nM |
352.39 |
CCCc1cc(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)on1 |
Homo sapiens |
CHEMBL3887327 |
single protein format |