molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4087541 |
|
IC50 |
= |
0.13 |
nM |
415.48 |
Nc1ncc2ccc(-c3ccc(NC(=S)Nc4ccc5c(c4)OCO5)cc3)cc2n1 |
Homo sapiens |
CHEMBL3993540 |
single protein format |
CHEMBL4103584 |
OBDepict
S
N
H
HN
F
F
F
F
F
F
N
N
NH
2
|
IC50 |
= |
0.16 |
nM |
507.46 |
Nc1ncc2ccc(-c3ccc(NC(=S)Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)cc2n1 |
Homo sapiens |
CHEMBL3993540 |
single protein format |
CHEMBL4449700 |
OBDepict
CH
3
O
N
N
N
N
H
3
C
|
IC50 |
= |
0.26 |
nM |
356.43 |
COc1ccc(-c2ccc(Cn3cc(-c4ccc(C)cc4)nn3)cc2)cn1 |
Homo sapiens |
CHEMBL4330409 |
single protein format |
CHEMBL4447552 |
OBDepict
Cl
N
N
N
N
|
IC50 |
= |
0.28 |
nM |
346.82 |
Clc1cccc(-c2cn(Cc3ccc(-c4cccnc4)cc3)nn2)c1 |
Homo sapiens |
CHEMBL4330409 |
single protein format |
CHEMBL3950106 |
OBDepict
H
3
C
N
N
N
H
O
CH
3
CH
3
CH
3
N
CH
3
N
N
N
|
IC50 |
= |
0.3 |
nM |
547.71 |
Cc1ccc(NC(=O)c2cc(N3CCN(C)CC3)cc(C(C)(C)C)c2)cc1-n1ccn2nc(-c3cccnc3)cc12 |
Homo sapiens |
CHEMBL3888827 |
single protein format |
CHEMBL4528844 |
OBDepict
CH
3
O
N
N
N
N
F
F
F
|
IC50 |
= |
0.3 |
nM |
410.4 |
COc1ccc(-c2ccc(Cn3cc(-c4ccc(C(F)(F)F)cc4)nn3)cc2)cn1 |
Homo sapiens |
CHEMBL4330409 |
single protein format |
CHEMBL3937186 |
OBDepict
N
NH
O
CH
3
CH
3
H
3
C
H
3
C
N
H
3
C
N
N
N
|
IC50 |
= |
0.3 |
nM |
488.6 |
Cc1cc(C)c(-n2ccn3nc(-c4cccnc4)cc23)cc1NC(=O)c1cc(C#N)cc(C(C)(C)C)c1 |
Homo sapiens |
CHEMBL3888827 |
single protein format |
CHEMBL3976004 |
OBDepict
O
HN
N
CH
3
CH
3
H
3
C
N
CH
3
N
CH
3
N
N
N
|
IC50 |
= |
0.3 |
nM |
529.65 |
Cc1ccc(NC(=O)c2cc(-n3ccnc3C)cc(C(C)(C)C)c2)cc1-n1ccn2nc(-c3cccnc3)cc12 |
Homo sapiens |
CHEMBL3888827 |
single protein format |
CHEMBL3967492 |
OBDepict
O
NH
CH
3
H
3
C
CH
3
HO
CH
3
CH
3
N
H
3
C
N
N
N
|
IC50 |
= |
0.3 |
nM |
507.64 |
Cc1ccc(NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)O)c2)cc1-n1ccn2nc(-c3cccnc3)cc12 |
Homo sapiens |
CHEMBL3888827 |
single protein format |
CHEMBL4452256 |
OBDepict
CH
3
O
N
N
N
N
Cl
|
IC50 |
= |
0.36 |
nM |
376.85 |
COc1ccc(-c2ccc(Cn3cc(-c4cccc(Cl)c4)nn3)cc2)cn1 |
Homo sapiens |
CHEMBL4330409 |
single protein format |
CHEMBL3922694 |
OBDepict
N
NH
O
CH
3
CH
3
H
3
C
F
N
H
3
C
N
N
N
|
IC50 |
= |
0.4 |
nM |
492.56 |
Cc1cc(F)c(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1-n1ccn2nc(-c3cccnc3)cc12 |
Homo sapiens |
CHEMBL3888827 |
single protein format |
CHEMBL3978122 |
OBDepict
H
N
N
N
N
N
H
3
C
CH
3
HN
O
N
F
F
F
CH
3
N
|
IC50 |
= |
0.4 |
nM |
544.54 |
Cc1ccc(NC(=O)c2cc(-n3ccnc3C)cc(C(F)(F)F)c2)cc1-n1cc(C)n2nc(-c3cn[nH]c3)cc12 |
Homo sapiens |
CHEMBL3888827 |
single protein format |
CHEMBL4570075 |
OBDepict
CH
3
N
N
N
N
|
IC50 |
= |
0.45 |
nM |
326.4 |
Cc1cccc(-c2cn(Cc3ccc(-c4cccnc4)cc3)nn2)c1 |
Homo sapiens |
CHEMBL4330409 |
single protein format |
CHEMBL3950414 |
OBDepict
N
N
NH
O
CH
3
CH
3
H
3
C
H
3
C
N
H
3
C
N
N
N
|
IC50 |
= |
0.5 |
nM |
489.58 |
Cc1cc(C)c(-n2ccn3nc(-c4cccnc4)cc23)cc1NC(=O)c1cc(C#N)nc(C(C)(C)C)c1 |
Homo sapiens |
CHEMBL3888827 |
single protein format |
CHEMBL3896522 |
OBDepict
H
3
C
NH
H
3
C
N
O
N
N
H
3
C
H
3
C
F
F
F
N
|
IC50 |
= |
0.5 |
nM |
517.56 |
Cc1cc(C)c(-n2ccn3nc(-c4cccnc4)cc23)cc1NC(=O)c1cccc(C(C)(C)C(F)(F)F)c1 |
Homo sapiens |
CHEMBL3888827 |
single protein format |
CHEMBL3959425 |
OBDepict
O
HN
N
F
F
F
N
CH
3
N
CH
3
N
N
N
|
IC50 |
= |
0.5 |
nM |
541.54 |
Cc1ccc(NC(=O)c2cc(-n3ccnc3C)cc(C(F)(F)F)c2)cc1-n1ccn2nc(-c3cccnc3)cc12 |
Homo sapiens |
CHEMBL3888827 |
single protein format |
CHEMBL3967691 |
OBDepict
CH
3
HN
CH
3
N
O
N
N
CH
3
O
N
|
IC50 |
= |
0.5 |
nM |
477.57 |
Cc1cc(C)c(-n2ccn3nc(-c4cccnc4)cc23)cc1NC(=O)c1cccc(C2(C)COC2)c1 |
Homo sapiens |
CHEMBL3888827 |
single protein format |
CHEMBL3944654 |
OBDepict
Br
NH
O
CH
3
CH
3
H
3
C
H
3
C
N
H
3
C
N
N
N
|
IC50 |
= |
0.6 |
nM |
542.48 |
Cc1cc(C)c(-n2ccn3nc(-c4cccnc4)cc23)cc1NC(=O)c1cc(Br)cc(C(C)(C)C)c1 |
Homo sapiens |
CHEMBL3888827 |
single protein format |
CHEMBL4066813 |
OBDepict
S
N
H
HN
O
Br
F
F
F
N
N
NH
2
|
IC50 |
= |
0.6 |
nM |
534.36 |
Nc1ncc2ccc(-c3ccc(NC(=S)Nc4cc(Br)ccc4OC(F)(F)F)cc3)cc2n1 |
Homo sapiens |
CHEMBL3993540 |
single protein format |
CHEMBL3952341 |
OBDepict
O
N
H
N
CH
3
CH
3
H
3
C
N
H
3
C
N
N
N
|
IC50 |
= |
0.7 |
nM |
532.69 |
Cc1ccc(NC(=O)c2cc(CN3CCCC3)cc(C(C)(C)C)c2)cc1-n1ccn2nc(-c3cccnc3)cc12 |
Homo sapiens |
CHEMBL3888827 |
single protein format |
CHEMBL4441465 |
OBDepict
CH
3
O
N
N
N
N
H
2
N
|
IC50 |
= |
0.73 |
nM |
357.42 |
COc1ccc(-c2ccc(Cn3cc(-c4cccc(N)c4)nn3)cc2)cn1 |
Homo sapiens |
CHEMBL4330409 |
single protein format |
CHEMBL3957460 |
OBDepict
Cl
N
NH
O
CH
3
CH
3
H
3
C
H
3
C
N
H
3
C
N
N
N
|
IC50 |
= |
0.8 |
nM |
499.02 |
Cc1cc(C)c(-n2ccn3nc(-c4cccnc4)cc23)cc1NC(=O)c1cc(Cl)nc(C(C)(C)C)c1 |
Homo sapiens |
CHEMBL3888827 |
single protein format |
CHEMBL4539395 |
OBDepict
O
NH
N
N
N
N
N
H
3
C
|
IC50 |
= |
0.82 |
nM |
398.47 |
Cn1cc(-c2ccc(Cn3cc(-c4cccc(NC(=O)C5CC5)c4)nn3)cc2)cn1 |
Homo sapiens |
CHEMBL4423709 |
single protein format |
CHEMBL1336 |
OBDepict
CH
3
NH
O
N
O
N
H
NH
O
Cl
F
F
F
|
IC50 |
= |
0.83 |
nM |
464.83 |
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 |
Homo sapiens |
CHEMBL3993540 |
single protein format |
CHEMBL3928950 |
OBDepict
CH
3
N
H
3
C
N
H
N
N
O
N
F
H
3
C
H
3
C
|
IC50 |
= |
0.9 |
nM |
467.55 |
Cc1cc(C)c(-n2ccn3nc(-c4cccnc4)cc23)cc1NC(=O)c1cccc(C(C)(C)F)c1 |
Homo sapiens |
CHEMBL3888827 |
single protein format |
CHEMBL218252 |
OBDepict
CH
3
N
N
H
N
H
N
N
O
NH
O
CH
3
F
H
3
C
|
IC50 |
= |
1.0 |
nM |
536.61 |
CCCn1c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 |
Homo sapiens |
CHEMBL856491 |
single protein format |
CHEMBL245744 |
OBDepict
H
3
C
NH
N
N
N
N
O
H
3
C
NH
O
H
3
C
CH
3
|
IC50 |
= |
1.0 |
nM |
454.53 |
CNc1ncnc(-c2cccnc2Oc2cc(C(=O)Nc3cccc(C(C)C)c3)ccc2C)n1 |
Homo sapiens |
CHEMBL887076 |
single protein format |
CHEMBL245746 |
OBDepict
H
3
C
NH
N
N
N
N
O
H
3
C
N
H
O
H
3
C
CH
3
|
IC50 |
= |
1.0 |
nM |
454.53 |
CNc1ncnc(-c2cccnc2Oc2cc(NC(=O)c3cccc(C(C)C)c3)ccc2C)n1 |
Homo sapiens |
CHEMBL887076 |
single protein format |
CHEMBL245947 |
OBDepict
CH
3
NH
N
N
O
CH
3
N
H
O
CH
3
CH
3
|
IC50 |
= |
1.0 |
nM |
452.56 |
CNc1cc(-c2cccnc2Oc2cc(NC(=O)c3cccc(C(C)C)c3)ccc2C)ccn1 |
Homo sapiens |
CHEMBL887076 |
single protein format |
CHEMBL385937 |
OBDepict
NH
2
N
N
CH
3
NH
O
F
F
F
|
IC50 |
= |
1.0 |
nM |
422.41 |
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(N)ncc2c1 |
Homo sapiens |
CHEMBL910166 |
single protein format |
CHEMBL465793 |
OBDepict
H
3
C
NH
N
N
N
O
N
H
N
N
H
|
IC50 |
= |
1.0 |
nM |
459.51 |
CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)n1 |
Homo sapiens |
CHEMBL1029838 |
single protein format |
CHEMBL221484 |
OBDepict
CH
3
N
H
3
C
N
H
F
F
F
O
HN
CH
3
N
N
N
|
IC50 |
= |
1.0 |
nM |
534.59 |
Cc1ccc(C(=O)Nc2cc(CCCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncccc1-c1ccncn1 |
Homo sapiens |
CHEMBL908503 |
single protein format |
CHEMBL218632 |
OBDepict
CH
3
HN
N
N
N
O
CH
3
HN
O
F
F
F
|
IC50 |
= |
1.0 |
nM |
479.46 |
CNc1nccc(-c2cccnc2Oc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)n1 |
Homo sapiens |
CHEMBL908503 |
single protein format |
CHEMBL1084451 |
OBDepict
CH
3
N
HN
N
N
N
O
N
H
N
N
H
|
IC50 |
= |
1.0 |
nM |
570.7 |
CCN1CCC(CNc2nccc(-c3cccnc3Oc3ccc(Nc4nc5ccccc5[nH]4)c4ccccc34)n2)CC1 |
Homo sapiens |
CHEMBL1120725 |
single protein format |
CHEMBL270057 |
OBDepict
CH
3
O
O
CH
3
O
N
O
N
N
H
O
CH
3
|
IC50 |
= |
1.0 |
nM |
471.51 |
COc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3cccc(C)c3)c2cc1OC |
Homo sapiens |
CHEMBL950177 |
single protein format |
CHEMBL4085653 |
OBDepict
S
N
H
HN
Cl
Cl
N
N
NH
2
|
IC50 |
= |
1.14 |
nM |
440.36 |
Nc1ncc2ccc(-c3ccc(NC(=S)Nc4ccc(Cl)c(Cl)c4)cc3)cc2n1 |
Homo sapiens |
CHEMBL3993540 |
single protein format |
CHEMBL3937870 |
OBDepict
N
NH
O
CH
3
CH
3
H
3
C
N
H
3
C
N
N
N
|
IC50 |
= |
1.2 |
nM |
474.57 |
Cc1ccc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1-n1ccn2nc(-c3cccnc3)cc12 |
Homo sapiens |
CHEMBL3888827 |
single protein format |
CHEMBL3913891 |
OBDepict
H
3
C
NH
H
3
C
N
O
N
N
S
F
F
F
N
|
IC50 |
= |
1.2 |
nM |
507.54 |
Cc1cc(C)c(-n2ccn3nc(-c4cccnc4)cc23)cc1NC(=O)c1cccc(SC(F)(F)F)c1 |
Homo sapiens |
CHEMBL3888827 |
single protein format |
CHEMBL3931577 |
OBDepict
H
3
C
NH
H
3
C
N
O
N
N
O
F
F
F
N
|
IC50 |
= |
1.4 |
nM |
491.47 |
Cc1cc(C)c(-n2ccn3nc(-c4cccnc4)cc23)cc1NC(=O)c1cccc(OC(F)(F)F)c1 |
Homo sapiens |
CHEMBL3888827 |
single protein format |
CHEMBL3974502 |
OBDepict
H
3
C
N
CH
3
N
CH
3
N
H
O
F
F
F
N
H
3
C
N
N
N
|
IC50 |
= |
1.5 |
nM |
575.64 |
Cc1ccc(NC(=O)c2cc(N(C)CCCN(C)C)cc(C(F)(F)F)c2)cc1-n1ccn2nc(-c3cccnc3)cc12 |
Homo sapiens |
CHEMBL3888827 |
single protein format |
CHEMBL1946170 |
OBDepict
CH
3
NH
O
N
O
F
N
H
NH
O
Cl
F
F
F
|
IC50 |
= |
1.5 |
nM |
482.82 |
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1 |
Homo sapiens |
CHEMBL4399260 |
single protein format |
CHEMBL4476000 |
OBDepict
H
3
C
N
N
N
N
N
F
F
F
|
IC50 |
= |
1.79 |
nM |
383.38 |
Cn1cc(-c2ccc(Cn3cc(-c4cccc(C(F)(F)F)c4)nn3)cc2)cn1 |
Homo sapiens |
CHEMBL4423709 |
single protein format |
CHEMBL212964 |
OBDepict
CH
3
NH
N
N
CH
3
N
H
O
F
F
F
|
IC50 |
= |
1.8 |
nM |
436.44 |
CNc1ncc2cc(-c3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)ccc2n1 |
Homo sapiens |
CHEMBL1047422 |
single protein format |
CHEMBL3906358 |
OBDepict
H
3
C
N
N
N
H
O
CH
3
CH
3
CH
3
N
CH
3
N
N
N
N
H
|
IC50 |
= |
1.9 |
nM |
536.68 |
Cc1ccc(NC(=O)c2cc(N3CCN(C)CC3)cc(C(C)(C)C)c2)cc1-n1ccn2nc(-c3cn[nH]c3)cc12 |
Homo sapiens |
CHEMBL3888827 |
single protein format |
CHEMBL4085495 |
OBDepict
Br
NH
F
F
F
O
HN
O
H
2
N
N
N
H
|
IC50 |
= |
1.95 |
nM |
558.36 |
Nc1n[nH]c2cccc(-c3cccc(NC(=O)C4(C(=O)Nc5cc(Br)cc(C(F)(F)F)c5)CC4)c3)c12 |
Homo sapiens |
CHEMBL3993540 |
single protein format |
CHEMBL426528 |
OBDepict
CH
3
N
N
H
N
H
N
N
O
HN
O
H
3
C
F
|
IC50 |
= |
2.0 |
nM |
522.58 |
CCCn1c2ccc(NC(=O)Nc3cccc(F)c3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 |
Homo sapiens |
CHEMBL856491 |
single protein format |
CHEMBL374745 |
OBDepict
CH
3
N
N
H
N
H
N
N
O
NH
O
CH
3
F
|
IC50 |
= |
2.0 |
nM |
522.58 |
CCCn1c2ccc(NC(=O)Nc3ccc(F)cc3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 |
Homo sapiens |
CHEMBL856491 |
single protein format |
CHEMBL424910 |
OBDepict
CH
3
N
N
H
N
H
N
N
O
NH
O
CH
3
F
|
IC50 |
= |
2.0 |
nM |
522.58 |
CCCn1c2ccc(NC(=O)Nc3ccccc3F)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 |
Homo sapiens |
CHEMBL856491 |
single protein format |
CHEMBL218201 |
OBDepict
CH
3
N
N
H
N
H
N
N
O
NH
O
CH
3
O
H
3
C
|
IC50 |
= |
2.0 |
nM |
534.62 |
CCCn1c2ccc(NC(=O)Nc3ccc(OC)cc3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 |
Homo sapiens |
CHEMBL856491 |
single protein format |
CHEMBL458023 |
OBDepict
H
3
C
NH
N
N
N
O
CH
3
N
H
N
N
H
|
IC50 |
= |
2.0 |
nM |
473.54 |
CNc1nccc(-c2cccnc2Oc2c(C)cc(Nc3nc4ccccc4[nH]3)c3ccccc23)n1 |
Homo sapiens |
CHEMBL1029838 |
single protein format |
CHEMBL194911 |
OBDepict
CH
3
O
O
N
H
2
N
N
N
H
NH
O
F
F
F
F
|
IC50 |
= |
2.0 |
nM |
537.47 |
COc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)cc1 |
Homo sapiens |
CHEMBL828663 |
single protein format |
CHEMBL375840 |
OBDepict
O
HN
H
3
C
F
F
F
N
N
N
H
|
IC50 |
= |
2.0 |
nM |
420.39 |
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C#Cc1cnc2[nH]cnc2c1 |
Homo sapiens |
CHEMBL910166 |
single protein format |
CHEMBL401860 |
OBDepict
CH
3
O
O
N
H
2
N
N
N
H
NH
O
F
F
F
F
|
IC50 |
= |
2.0 |
nM |
537.47 |
COc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(NC(=O)Nc3c(F)cccc3C(F)(F)F)cc2)cc1 |
Homo sapiens |
CHEMBL929872 |
single protein format |
CHEMBL394693 |
OBDepict
H
3
C
NH
N
N
N
O
H
3
C
N
H
O
H
3
C
CH
3
|
IC50 |
= |
2.0 |
nM |
453.55 |
CNc1nccc(-c2cccnc2Oc2cc(NC(=O)c3cccc(C(C)C)c3)ccc2C)n1 |
Homo sapiens |
CHEMBL887076 |
single protein format |
CHEMBL219293 |
OBDepict
CH
3
N
N
H
N
H
N
N
O
N
O
CH
3
H
3
C
|
IC50 |
= |
2.0 |
nM |
518.62 |
CCCn1c2ccc(NC(=O)N(C)c3ccccc3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 |
Homo sapiens |
CHEMBL856491 |
single protein format |
CHEMBL1084452 |
OBDepict
CH
3
N
N
H
N
N
N
O
N
H
N
N
H
|
IC50 |
= |
2.0 |
nM |
556.67 |
CN1CCCC1CCNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)n1 |
Homo sapiens |
CHEMBL1120725 |
single protein format |
CHEMBL4160854 |
OBDepict
S
N
H
HN
O
Br
F
F
F
H
2
N
N
N
H
|
IC50 |
= |
2.13 |
nM |
522.35 |
Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4cc(Br)ccc4OC(F)(F)F)cc3)c12 |
Homo sapiens |
CHEMBL4140581 |
single protein format |
CHEMBL1784637 |
OBDepict
HO
N
N
F
F
F
N
H
O
CH
3
N
N
CH
3
N
H
O
CH
3
|
IC50 |
= |
2.2 |
nM |
582.63 |
CNC(=O)c1ncc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(CCO)CC4)c(C(F)(F)F)c3)ccc2C)n1C |
Homo sapiens |
CHEMBL1785337 |
single protein format |
CHEMBL4069517 |
OBDepict
S
N
H
HN
Br
F
F
F
N
N
NH
2
|
IC50 |
= |
2.47 |
nM |
518.36 |
Nc1ncc2ccc(-c3ccc(NC(=S)Nc4cc(Br)cc(C(F)(F)F)c4)cc3)cc2n1 |
Homo sapiens |
CHEMBL3993540 |
single protein format |
CHEMBL243916 |
OBDepict
O
HN
N
H
F
F
F
F
O
N
N
H
N
H
O
CH
3
|
IC50 |
= |
2.6 |
nM |
487.41 |
CC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)cc2[nH]1 |
Homo sapiens |
CHEMBL895709 |
assay format |
CHEMBL4469077 |
OBDepict
H
3
C
N
N
N
N
N
F
|
IC50 |
= |
2.69 |
nM |
333.37 |
Cn1cc(-c2ccc(Cn3cc(-c4ccccc4F)nn3)cc2)cn1 |
Homo sapiens |
CHEMBL4423709 |
single protein format |
CHEMBL243911 |
OBDepict
O
HN
N
H
N
F
F
F
F
O
N
N
H
N
H
O
CH
3
|
IC50 |
= |
2.9 |
nM |
488.4 |
CC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)nc3)cc2[nH]1 |
Homo sapiens |
CHEMBL895709 |
assay format |
CHEMBL219332 |
OBDepict
CH
3
N
N
H
N
H
N
N
O
NH
O
CH
3
S
H
3
C
|
IC50 |
= |
3.0 |
nM |
550.69 |
CCCn1c2ccc(NC(=O)Nc3ccc(SC)cc3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 |
Homo sapiens |
CHEMBL856491 |
single protein format |
CHEMBL244106 |
OBDepict
CH
3
O
O
N
H
O
N
N
H
O
N
H
NH
O
F
F
F
F
|
IC50 |
= |
3.0 |
nM |
561.49 |
COCCOCC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)cc2[nH]1 |
Homo sapiens |
CHEMBL895709 |
assay format |
CHEMBL218816 |
OBDepict
CH
3
O
N
H
NH
O
N
N
H
CH
3
CH
3
O
N
N
H
3
C
|
IC50 |
= |
3.0 |
nM |
548.65 |
COc1ccc(NC(=O)Nc2ccc3c(c2)c2c4c(c5c(c2n3CC(C)C)CCc2nn(C)cc2-5)C(=O)NC4)cc1 |
Homo sapiens |
CHEMBL856491 |
single protein format |
CHEMBL220874 |
OBDepict
H
2
N
N
H
3
C
HN
O
F
F
F
|
IC50 |
= |
3.0 |
nM |
395.38 |
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C#Cc1ccc(N)nc1 |
Homo sapiens |
CHEMBL910166 |
single protein format |
CHEMBL1084061 |
OBDepict
CH
3
N
N
H
O
N
N
O
CH
3
|
IC50 |
= |
3.0 |
nM |
454.57 |
CCCn1c2ccc(C3CCCCO3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 |
Homo sapiens |
CHEMBL1119624 |
single protein format |
CHEMBL387174 |
OBDepict
CH
3
N
N
H
N
H
NH
O
HN
O
CH
3
|
IC50 |
= |
3.0 |
nM |
491.6 |
CCCn1c2ccc(NC(=O)Nc3ccc(C)cc3)cc2c2c3c(c4c(c21)CC(C=N)=CC4)C(=O)NC3 |
Homo sapiens |
CHEMBL856491 |
single protein format |
CHEMBL245745 |
OBDepict
CH
3
NH
N
N
O
CH
3
N
H
O
CH
3
H
3
C
|
IC50 |
= |
3.0 |
nM |
452.56 |
CNc1cc(-c2cccnc2Oc2cc(C(=O)Nc3cccc(C(C)C)c3)ccc2C)ccn1 |
Homo sapiens |
CHEMBL887076 |
single protein format |
CHEMBL1084337 |
OBDepict
CH
3
H
3
C
N
N
H
O
N
N
O
CH
3
|
IC50 |
= |
3.0 |
nM |
468.6 |
CC(C)Cn1c2ccc(C3CCCCO3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 |
Homo sapiens |
CHEMBL1119624 |
single protein format |
CHEMBL427998 |
OBDepict
H
2
N
N
N
H
3
C
HN
O
F
F
F
|
IC50 |
= |
3.0 |
nM |
396.37 |
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C#Cc1cnc(N)nc1 |
Homo sapiens |
CHEMBL910166 |
single protein format |
CHEMBL219253 |
OBDepict
CH
3
N
N
H
N
H
N
N
O
NH
O
CH
3
Cl
|
IC50 |
= |
3.0 |
nM |
539.04 |
CCCn1c2ccc(NC(=O)Nc3ccccc3Cl)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 |
Homo sapiens |
CHEMBL856491 |
single protein format |
CHEMBL3891004 |
OBDepict
F
F
O
F
F
N
H
O
CH
3
N
H
3
C
N
N
N
|
IC50 |
= |
3.2 |
nM |
523.49 |
Cc1cc(C)c(-n2ccn3nc(-c4cccnc4)cc23)cc1NC(=O)c1cccc(OC(F)(F)C(F)F)c1 |
Homo sapiens |
CHEMBL3888827 |
single protein format |
CHEMBL243915 |
OBDepict
H
3
C
O
N
H
O
N
N
O
N
H
N
H
O
F
F
F
F
|
IC50 |
= |
3.4 |
nM |
503.41 |
COC(=O)Nc1cn2cc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)ccc2n1 |
Homo sapiens |
CHEMBL895709 |
assay format |
CHEMBL4083001 |
OBDepict
O
N
H
NH
O
Cl
Cl
NH
2
N
N
H
|
IC50 |
= |
3.49 |
nM |
480.36 |
Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(C(=O)Nc5ccc(Cl)c(Cl)c5)CC4)cc3)c12 |
Homo sapiens |
CHEMBL3993540 |
single protein format |
CHEMBL4169668 |
OBDepict
CH
2
NH
O
N
N
H
N
H
O
F
F
F
|
IC50 |
= |
3.59 |
nM |
426.4 |
C=CC(=O)Nc1ccc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cn1 |
Homo sapiens |
CHEMBL4135860 |
single protein format |
CHEMBL3937098 |
OBDepict
O
NH
S
F
F
F
O
O
NH
2
N
H
3
C
N
N
N
|
IC50 |
= |
3.9 |
nM |
540.53 |
Cc1ccc(NC(=O)c2cc(C(F)(F)F)cc(S(N)(=O)=O)c2)cc1-n1ccn2nc(-c3cccnc3)cc12 |
Homo sapiens |
CHEMBL3888827 |
single protein format |
CHEMBL437876 |
OBDepict
H
3
C
N
HN
N
H
N
N
O
NH
O
H
3
C
F
F
F
F
|
IC50 |
= |
4.0 |
nM |
590.58 |
CCCn1c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 |
Homo sapiens |
CHEMBL856491 |
single protein format |
CHEMBL218817 |
OBDepict
CH
3
O
N
H
NH
O
N
N
H
CH
3
CH
3
O
N
N
H
3
C
|
IC50 |
= |
4.0 |
nM |
548.65 |
COc1cccc(NC(=O)Nc2ccc3c(c2)c2c4c(c5c(c2n3CC(C)C)CCc2nn(C)cc2-5)C(=O)NC4)c1 |
Homo sapiens |
CHEMBL856491 |
single protein format |
CHEMBL468612 |
OBDepict
CH
3
N
H
N
N
N
O
CH
3
N
H
HN
O
F
F
F
|
IC50 |
= |
4.0 |
nM |
494.48 |
CNc1nccc(-c2cccnc2Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2C)n1 |
Homo sapiens |
CHEMBL1029838 |
single protein format |
CHEMBL394694 |
OBDepict
H
3
C
NH
N
N
N
N
O
F
N
H
O
H
3
C
CH
3
|
IC50 |
= |
4.0 |
nM |
458.5 |
CNc1ncnc(-c2cccnc2Oc2cc(NC(=O)c3cccc(C(C)C)c3)ccc2F)n1 |
Homo sapiens |
CHEMBL887076 |
single protein format |
CHEMBL375570 |
OBDepict
CH
3
N
N
H
N
H
N
N
O
NH
O
CH
3
Br
|
IC50 |
= |
4.0 |
nM |
583.49 |
CCCn1c2ccc(NC(=O)Nc3ccccc3Br)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 |
Homo sapiens |
CHEMBL856491 |
single protein format |
CHEMBL385956 |
OBDepict
O
N
H
N
H
CH
3
N
F
F
F
N
N
|
IC50 |
= |
4.0 |
nM |
449.44 |
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncccc1-c1ccncn1 |
Homo sapiens |
CHEMBL908503 |
single protein format |
CHEMBL246150 |
OBDepict
CH
3
N
H
N
N
O
N
H
O
CH
3
H
3
C
|
IC50 |
= |
4.0 |
nM |
438.53 |
CNc1cc(-c2cccnc2Oc2cccc(NC(=O)c3cccc(C(C)C)c3)c2)ccn1 |
Homo sapiens |
CHEMBL887076 |
single protein format |
CHEMBL2010869 |
OBDepict
CH
3
N
N
H
N
H
N
N
O
N
N
CH
3
H
3
C
|
IC50 |
= |
4.0 |
nM |
491.6 |
CCCn1c2ccc(Nc3ncc(CC)cn3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 |
Homo sapiens |
CHEMBL2015673 |
assay format |
CHEMBL424757 |
OBDepict
H
3
C
O
N
H
HN
O
N
H
3
C
N
H
O
N
N
CH
3
|
IC50 |
= |
4.0 |
nM |
520.59 |
CCn1c2ccc(NC(=O)Nc3ccc(OC)cc3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 |
Homo sapiens |
CHEMBL856491 |
single protein format |
CHEMBL218646 |
OBDepict
CH
3
NH
N
N
N
O
F
HN
O
N
CH
3
F
F
F
N
H
3
C
CH
3
|
IC50 |
= |
4.0 |
nM |
597.62 |
CNc1nccc(-c2cccnc2Oc2ccc(F)c(C(=O)Nc3cc(C(F)(F)F)ccc3N(C)CCCN(C)C)c2)n1 |
Homo sapiens |
CHEMBL908503 |
single protein format |
CHEMBL220550 |
OBDepict
CH
3
HN
N
N
N
O
CH
3
N
H
O
O
CH
3
|
IC50 |
= |
4.0 |
nM |
523.64 |
CNc1nccc(-c2cccnc2Oc2cc(C(=O)Nc3cc(C4CCCCC4)ccc3OC)ccc2C)n1 |
Homo sapiens |
CHEMBL908503 |
single protein format |
CHEMBL3942395 |
OBDepict
H
3
C
O
CH
3
NH
O
CH
3
N
H
3
C
N
N
N
|
IC50 |
= |
4.6 |
nM |
465.56 |
Cc1cc(C)c(-n2ccn3nc(-c4cccnc4)cc23)cc1NC(=O)c1cccc(OC(C)C)c1 |
Homo sapiens |
CHEMBL3888827 |
single protein format |
CHEMBL4168788 |
OBDepict
S
N
H
HN
Br
O
F
F
F
H
2
N
N
N
H
|
IC50 |
= |
4.85 |
nM |
522.35 |
Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4cc(OC(F)(F)F)ccc4Br)cc3)c12 |
Homo sapiens |
CHEMBL4140581 |
single protein format |
CHEMBL389333 |
OBDepict
CH
3
N
N
N
H
O
N
N
H
O
N
H
NH
O
F
F
F
F
|
IC50 |
= |
4.9 |
nM |
585.56 |
CN1CCN(CC(=O)Nc2nc3ccc(Oc4ccc(NC(=O)Nc5cc(C(F)(F)F)ccc5F)cc4)cc3[nH]2)CC1 |
Homo sapiens |
CHEMBL895709 |
assay format |
CHEMBL386637 |
OBDepict
H
3
C
N
H
3
C
H
N
N
H
O
F
F
F
F
N
N
H
2
N
|
IC50 |
= |
5.0 |
nM |
526.54 |
CN(C)[C@H]1CCCN(c2ccc(C(F)(F)F)cc2NC(=O)c2cc(C#Cc3cnc(N)nc3)ccc2F)C1 |
Homo sapiens |
CHEMBL910166 |
single protein format |
CHEMBL218557 |
OBDepict
CH
3
N
N
H
N
H
N
N
O
O
O
CH
3
O
H
3
C
|
IC50 |
= |
5.0 |
nM |
535.6 |
CCCn1c2ccc(NC(=O)Oc3ccc(OC)cc3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 |
Homo sapiens |
CHEMBL856491 |
single protein format |
CHEMBL457099 |
OBDepict
H
3
C
N
H
N
N
N
O
N
H
NH
O
|
IC50 |
= |
5.0 |
nM |
462.51 |
CNc1nccc(-c2cccnc2Oc2ccc(NC(=O)Nc3ccccc3)c3ccccc23)n1 |
Homo sapiens |
CHEMBL1029838 |
single protein format |
CHEMBL216891 |
OBDepict
CH
3
N
N
H
N
H
N
N
O
NH
O
CH
3
|
IC50 |
= |
5.0 |
nM |
504.59 |
CCCn1c2ccc(NC(=O)Nc3ccccc3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 |
Homo sapiens |
CHEMBL856491 |
single protein format |
CHEMBL401881 |
OBDepict
CH
3
CH
3
N
N
H
O
N
N
O
S
H
3
C
CH
3
|
IC50 |
= |
5.0 |
nM |
508.65 |
Cc1ccsc1C(=O)c1ccc2c(c1)c1c3c(c4c(c1n2CC(C)C)CCc1nn(C)cc1-4)C(=O)NC3 |
Homo sapiens |
CHEMBL950344 |
single protein format |
CHEMBL3943444 |
OBDepict
H
N
N
N
N
N
CH
3
HN
O
N
F
F
F
CH
3
N
|
IC50 |
= |
5.0 |
nM |
530.51 |
Cc1ccc(NC(=O)c2cc(-n3ccnc3C)cc(C(F)(F)F)c2)cc1-n1ccn2nc(-c3cn[nH]c3)cc12 |
Homo sapiens |
CHEMBL3888827 |
single protein format |
CHEMBL244297 |
OBDepict
O
N
H
N
H
F
F
F
F
O
N
N
H
NH
O
O
|
IC50 |
= |
5.2 |
nM |
539.45 |
O=C(Nc1ccc(Oc2ccc3[nH]c(NC(=O)c4ccco4)nc3c2)cc1)Nc1cc(C(F)(F)F)ccc1F |
Homo sapiens |
CHEMBL895709 |
assay format |
CHEMBL244079 |
OBDepict
CH
3
O
N
H
O
N
N
H
O
N
H
NH
O
F
F
F
|
IC50 |
= |
5.2 |
nM |
485.42 |
COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc2[nH]1 |
Homo sapiens |
CHEMBL895709 |
assay format |
CHEMBL4459732 |
OBDepict
F
N
N
N
N
N
|
IC50 |
= |
5.45 |
nM |
331.35 |
Fc1ccccc1-c1cn(Cc2ccc(-c3cncnc3)cc2)nn1 |
Homo sapiens |
CHEMBL4423709 |
single protein format |