molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4206765 |
|
IC50 |
= |
0.09 |
nM |
499.6 |
C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4cc[nH]c(=O)c4)s3)nc3ccccc31)C2 |
Homo sapiens |
CHEMBL4199506 |
single protein format |
CHEMBL4217959 |
OBDepict
CH
2
N
O
H
N
NH
N
O
S
N
N
NH
2
|
IC50 |
= |
0.1 |
nM |
499.6 |
C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4ccnc(N)n4)s3)nc3ccccc31)C2 |
Homo sapiens |
CHEMBL4199506 |
single protein format |
CHEMBL4214683 |
OBDepict
CH
2
N
O
H
N
NH
N
O
S
N
N
CH
3
|
IC50 |
= |
0.11 |
nM |
498.61 |
C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4ccnc(C)n4)s3)nc3ccccc31)C2 |
Homo sapiens |
CHEMBL4199506 |
single protein format |
CHEMBL4219011 |
OBDepict
CH
3
NH
N
S
N
H
O
N
N
H
N
O
CH
2
|
IC50 |
= |
0.16 |
nM |
512.64 |
C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4ccnc(NC)c4)s3)nc3ccccc31)C2 |
Homo sapiens |
CHEMBL4199506 |
single protein format |
CHEMBL4207292 |
OBDepict
CH
2
N
O
H
N
NH
N
O
S
N
NH
2
|
IC50 |
= |
0.2 |
nM |
498.61 |
C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4ccnc(N)c4)s3)nc3ccccc31)C2 |
Homo sapiens |
CHEMBL4199506 |
single protein format |
CHEMBL4211372 |
OBDepict
CH
2
N
O
H
N
NH
N
O
S
O
N
|
IC50 |
= |
0.62 |
nM |
473.56 |
C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4cnco4)s3)nc3ccccc31)C2 |
Homo sapiens |
CHEMBL4199506 |
single protein format |
CHEMBL4216187 |
OBDepict
CH
2
N
O
H
N
NH
N
O
S
N
H
H
3
C
O
N
|
IC50 |
= |
0.67 |
nM |
502.6 |
C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4cnco4)s3)nc3cc(NC)ccc31)C2 |
Homo sapiens |
CHEMBL4199506 |
single protein format |
CHEMBL4208358 |
OBDepict
CH
2
N
O
H
N
NH
N
O
S
F
O
N
|
IC50 |
= |
0.74 |
nM |
491.55 |
C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4cnco4)s3)nc3cc(F)ccc31)C2 |
Homo sapiens |
CHEMBL4199506 |
single protein format |
CHEMBL4248386 |
OBDepict
CH
2
S
N
H
O
O
H
3
C
CH
3
N
CH
3
H
O
H
2
N
|
IC50 |
= |
0.9 |
nM |
383.47 |
C=CS(=O)(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1C |
Homo sapiens |
CHEMBL4235703 |
single protein format |
CHEMBL4297674 |
OBDepict
H
3
C
N
H
O
H
N
F
H
3
C
N
CH
3
H
O
NH
2
|
IC50 |
= |
0.9 |
nM |
370.43 |
CC#CC(=O)N[C@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1 |
Homo sapiens |
CHEMBL4616778 |
single protein format |
CHEMBL4204572 |
OBDepict
CH
2
N
O
H
N
NH
N
O
S
F
F
H
3
C
|
IC50 |
= |
0.98 |
nM |
470.55 |
C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(C(C)(F)F)s3)nc3ccccc31)C2 |
Homo sapiens |
CHEMBL4199506 |
single protein format |
CHEMBL4203077 |
OBDepict
CH
2
N
O
H
N
NH
N
O
S
N
H
O
H
3
C
H
N
H
3
C
H
3
C
CH
3
|
IC50 |
= |
1.65 |
nM |
586.76 |
C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4cnco4)s3)nc3cc(CN[C@@H](C)C(C)(C)C)ccc31)C2 |
Homo sapiens |
CHEMBL4199506 |
single protein format |
CHEMBL4206487 |
OBDepict
CH
2
N
O
H
N
NH
N
O
S
N
H
F
F
H
3
C
H
H
3
C
H
3
C
CH
3
|
IC50 |
= |
1.78 |
nM |
569.72 |
C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(C(F)F)s3)nc3cc(CN[C@@H](C)C(C)(C)C)ccc31)C2 |
Homo sapiens |
CHEMBL4199506 |
single protein format |
CHEMBL4215147 |
OBDepict
CH
2
N
O
H
N
NH
N
O
S
N
H
O
N
H
3
C
CH
3
HO
|
IC50 |
= |
1.96 |
nM |
588.73 |
C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4cnco4)s3)nc3cc(CNCC(C)(C)CO)ccc31)C2 |
Homo sapiens |
CHEMBL4199506 |
single protein format |
CHEMBL4218914 |
OBDepict
CH
2
N
O
H
N
NH
N
O
S
N
F
F
O
|
IC50 |
= |
2.27 |
nM |
555.65 |
C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(C(F)F)s3)nc3cc(CN4CCOCC4)ccc31)C2 |
Homo sapiens |
CHEMBL4199506 |
single protein format |
CHEMBL4241958 |
OBDepict
CH
2
HN
O
H
3
C
N
H
O
H
2
N
OH
H
3
C
H
3
C
|
IC50 |
= |
2.3 |
nM |
431.54 |
C=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c4c(c23)CCC(C(C)(C)O)C4)c1C |
Homo sapiens |
CHEMBL4235703 |
single protein format |
CHEMBL3928976 |
OBDepict
Cl
O
NH
2
N
CH
3
H
N
O
O
N
OH
H
3
C
H
3
C
Cl
|
IC50 |
= |
3.0 |
nM |
587.46 |
Cc1c(-c2c(Cl)cc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1c(=O)cc2c(Cl)cccn2c1=O |
Homo sapiens |
CHEMBL4672808 |
single protein format |
CHEMBL4202941 |
OBDepict
CH
2
N
O
H
N
NH
N
O
S
N
H
F
F
H
3
C
CH
3
HO
|
IC50 |
= |
3.13 |
nM |
571.69 |
C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(C(F)F)s3)nc3cc(CNCC(C)(C)CO)ccc31)C2 |
Homo sapiens |
CHEMBL4199506 |
single protein format |
CHEMBL4215807 |
OBDepict
CH
2
N
O
H
N
NH
N
O
S
N
N
H
H
3
C
H
H
3
C
H
3
C
CH
3
|
IC50 |
= |
3.16 |
nM |
520.7 |
C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccns3)nc3cc(CN[C@@H](C)C(C)(C)C)ccc31)C2 |
Homo sapiens |
CHEMBL4199506 |
single protein format |
CHEMBL4210857 |
OBDepict
CH
2
N
O
H
N
NH
N
O
N
H
H
3
C
H
N
H
3
C
H
3
C
CH
3
|
IC50 |
= |
4.32 |
nM |
538.7 |
C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(C#N)cc3)nc3cc(CN[C@@H](C)C(C)(C)C)ccc31)C2 |
Homo sapiens |
CHEMBL4199506 |
single protein format |
CHEMBL4202618 |
OBDepict
CH
2
N
O
H
N
NH
N
O
S
N
N
H
H
3
C
H
H
3
C
H
3
C
CH
3
|
IC50 |
= |
4.5 |
nM |
520.7 |
C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3cncs3)nc3cc(CN[C@@H](C)C(C)(C)C)ccc31)C2 |
Homo sapiens |
CHEMBL4199506 |
single protein format |
CHEMBL4175428 |
OBDepict
CH
3
N
O
H
N
O
N
N
N
H
2
N
O
|
IC50 |
= |
5.3 |
nM |
468.52 |
CC#CC(=O)N1CCC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL4152875 |
single protein format |
CHEMBL3301625 |
OBDepict
CH
3
O
O
N
H
N
N
N
H
F
N
H
O
CH
2
|
IC50 |
= |
6.2 |
nM |
423.45 |
C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1 |
Homo sapiens |
CHEMBL4152875 |
single protein format |
CHEMBL4237557 |
OBDepict
CH
2
N
H
O
CH
3
CH
3
N
H
3
C
H
O
NH
2
|
IC50 |
= |
6.4 |
nM |
347.42 |
C=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1C |
Homo sapiens |
CHEMBL4235703 |
single protein format |
CHEMBL3290142 |
OBDepict
CH
2
N
H
O
N
H
N
N
HN
O
CH
3
NH
O
F
F
F
|
IC50 |
= |
8.2 |
nM |
560.54 |
C=CC(=O)Nc1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)cn2)c1 |
Homo sapiens |
CHEMBL3292444 |
single protein format |
CHEMBL3900554 |
OBDepict
F
O
NH
2
N
CH
3
H
N
H
O
O
N
OH
CH
3
H
3
C
H
3
C
F
|
IC50 |
= |
10.0 |
nM |
572.61 |
Cc1c(-c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CC[C@H](C(C)(C)O)C4)cccc1-n1c(=O)c2cccc(F)c2n(C)c1=O |
Homo sapiens |
CHEMBL3858959 |
single protein format |
CHEMBL3918580 |
OBDepict
CH
3
N
N
O
N
H
O
NH
2
OH
H
3
C
H
3
C
|
IC50 |
= |
13.0 |
nM |
502.57 |
Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1cnc2ccccc2c1=O |
Homo sapiens |
CHEMBL4429376 |
assay format |
CHEMBL3263640 |
OBDepict
CH
3
NH
N
N
O
HN
N
N
H
H
3
C
H
3
C
CH
3
N
O
O
|
IC50 |
= |
14.0 |
nM |
589.7 |
Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c2nc[nH]c2n1 |
Homo sapiens |
CHEMBL3270601 |
single protein format |
CHEMBL4864983 |
OBDepict
CH
2
N
O
H
N
N
NH
2
O
H
2
N
N
H
O
N
F
F
F
|
IC50 |
= |
15.7 |
nM |
527.51 |
C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c(C(N)=O)n1N |
Homo sapiens |
CHEMBL4841679 |
single protein format |
CHEMBL4108687 |
OBDepict
O
O
N
H
3
C
CH
3
H
H
N
N
N
H
2
N
N
H
O
N
F
F
F
|
IC50 |
= |
27.0 |
nM |
565.56 |
CC1(C)OC(=O)N2C[C@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CC[C@H]21 |
Homo sapiens |
CHEMBL4727430 |
single protein format |
CHEMBL3707348 |
OBDepict
H
3
C
N
O
H
N
N
N
H
2
N
N
H
O
N
|
IC50 |
= |
29.0 |
nM |
465.52 |
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12 |
Homo sapiens |
CHEMBL4726193 |
assay format |
CHEMBL4752700 |
OBDepict
CH
2
HN
O
N
O
HN
O
N
CH
3
|
IC50 |
= |
38.0 |
nM |
438.49 |
C=CC(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4cc(CC)ccn4)cc3)c2c1 |
Homo sapiens |
CHEMBL4726193 |
assay format |
CHEMBL3622193 |
OBDepict
H
3
C
N
N
O
N
H
O
H
2
N
F
HN
O
N
CH
3
CH
3
|
IC50 |
= |
41.0 |
nM |
592.68 |
CN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4cccc(NC(=O)c5ccc(N(C)C)cc5)c4F)c23)CC1 |
Homo sapiens |
CHEMBL3627426 |
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 |
= |
43.1 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328629 |
single protein format |
CHEMBL4525187 |
OBDepict
H
2
N
N
N
N
H
N
O
H
O
|
IC50 |
= |
44.0 |
nM |
441.54 |
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C[C@H]1CCCN1C[C@@H]1CO1 |
Homo sapiens |
CHEMBL4347052 |
single protein format |
CHEMBL4237800 |
OBDepict
CH
3
N
N
O
N
H
O
NH
2
OH
H
3
C
H
3
C
|
IC50 |
= |
56.0 |
nM |
506.61 |
Cc1c(-c2ccc(C(N)=O)c3[nH]c4c(c23)CCC(C(C)(C)O)C4)cccc1-n1cnc2ccccc2c1=O |
Homo sapiens |
CHEMBL4235703 |
single protein format |
CHEMBL3586447 |
OBDepict
CH
3
N
N
N
H
N
NH
2
O
NH
2
|
IC50 |
= |
57.0 |
nM |
318.34 |
Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(C(N)=O)nnc12 |
Homo sapiens |
CHEMBL3588279 |
single protein format |
CHEMBL4172284 |
OBDepict
CH
3
N
H
N
N
N
NH
2
O
NH
2
|
IC50 |
= |
57.0 |
nM |
318.34 |
Cc1cc2[nH]ncc2cc1-c1cccc2c(N)c(C(N)=O)nnc12 |
Homo sapiens |
CHEMBL4152875 |
single protein format |
CHEMBL4103954 |
OBDepict
O
N
H
CH
3
H
N
N
N
H
2
N
F
HN
O
N
F
F
F
|
IC50 |
= |
63.0 |
nM |
581.57 |
C[C@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)CN1C(=O)C1CC1 |
Homo sapiens |
CHEMBL4717050 |
single protein format |
CHEMBL4076024 |
OBDepict
CH
3
O
N
O
H
N
N
N
H
2
N
F
N
H
O
N
F
F
F
|
IC50 |
= |
63.0 |
nM |
571.54 |
COCC(=O)N1CCC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1 |
Homo sapiens |
CHEMBL4057974 |
single protein format |
CHEMBL4106978 |
OBDepict
O
N
H
H
N
N
N
H
2
N
HN
O
N
F
F
F
|
IC50 |
= |
63.0 |
nM |
535.53 |
Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12 |
Homo sapiens |
CHEMBL4727430 |
single protein format |
CHEMBL4114929 |
OBDepict
CH
3
O
N
N
H
O
N
H
2
N
N
N
H
N
F
F
F
H
O
|
IC50 |
= |
67.0 |
nM |
565.56 |
COc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |
Homo sapiens |
CHEMBL4727430 |
single protein format |
CHEMBL4799627 |
OBDepict
O
N
CH
3
O
H
N
N
N
NH
2
F
N
H
O
N
F
F
F
|
IC50 |
= |
69.0 |
nM |
597.57 |
CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4F)c4c(N)nccn34)C2)COC1 |
Homo sapiens |
CHEMBL4717050 |
single protein format |
CHEMBL1873475 |
OBDepict
CH
2
N
O
H
N
N
N
N
H
2
N
O
|
IC50 |
= |
77.8 |
nM |
440.51 |
C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL3887532 |
single protein format |
CHEMBL3647964 |
OBDepict
CH
2
N
O
H
N
N
N
N
H
2
N
O
|
IC50 |
= |
78.0 |
nM |
440.51 |
C=CC(=O)N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL4152870 |
single protein format |
CHEMBL4749037 |
OBDepict
O
O
N
H
H
N
N
N
H
2
N
HN
O
N
F
F
F
|
IC50 |
= |
92.0 |
nM |
537.5 |
Nc1nccn2c([C@@H]3CC[C@H]4COC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12 |
Homo sapiens |
CHEMBL4727430 |
single protein format |
CHEMBL3647967 |
OBDepict
CH
2
HN
O
H
H
N
N
N
N
H
2
N
O
|
IC50 |
= |
108.0 |
nM |
454.53 |
C=CC(=O)N[C@H]1CC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1 |
Homo sapiens |
CHEMBL3887532 |
single protein format |
CHEMBL4095253 |
OBDepict
CH
2
S
N
O
O
H
N
N
N
H
2
N
O
O
|
IC50 |
= |
114.8 |
nM |
427.49 |
C=CS(=O)(=O)N1CCC[C@@H]1Cn1cc(-c2ccc3c(c2)OCO3)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL4058121 |
cell-based format |
CHEMBL3621496 |
OBDepict
CH
3
N
N
O
N
H
O
NH
2
F
|
IC50 |
= |
116.0 |
nM |
430.48 |
CN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4ccccc4F)c23)CC1 |
Homo sapiens |
CHEMBL3627426 |
single protein format |
CHEMBL3621515 |
OBDepict
CH
3
N
N
O
N
H
O
NH
2
CH
3
N
H
O
H
3
C
|
IC50 |
= |
162.0 |
nM |
483.57 |
CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c4cc(C(=O)N5CCN(C)CC5)ccc4c23)c1C |
Homo sapiens |
CHEMBL3627426 |
single protein format |
CHEMBL4094125 |
OBDepict
O
N
CH
3
O
H
N
N
N
NH
2
N
H
O
N
F
F
F
|
IC50 |
= |
167.0 |
nM |
579.58 |
CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)C2)COC1 |
Homo sapiens |
CHEMBL4717050 |
single protein format |
CHEMBL4077588 |
OBDepict
F
N
HN
O
N
H
2
N
N
N
H
N
F
F
F
O
|
IC50 |
= |
170.0 |
nM |
583.59 |
Nc1nccn2c([C@@H]3CCCN(C4CCOCC4)C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12 |
Homo sapiens |
CHEMBL4057974 |
single protein format |
CHEMBL4755977 |
OBDepict
CH
3
O
NH
N
O
O
N
NH
O
O
N
|
IC50 |
= |
184.0 |
nM |
551.6 |
COc1cc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2cc1NC(=O)C#CCCN1CCOCC1 |
Homo sapiens |
CHEMBL4726193 |
assay format |
CHEMBL4060757 |
OBDepict
F
N
NH
O
N
NH
2
N
N
H
O
N
F
F
F
O
|
IC50 |
= |
191.0 |
nM |
585.56 |
Nc1nccn2c([C@H]3CN(C4CCOCC4)CCO3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12 |
Homo sapiens |
CHEMBL4057974 |
single protein format |
CHEMBL4782725 |
OBDepict
CH
3
NH
O
O
O
N
N
O
N
H
O
N
|
IC50 |
= |
219.0 |
nM |
551.6 |
CC#CC(=O)Nc1cc2c(Oc3ccc(C(=O)Nc4ccccn4)cc3)ccnc2cc1OCCN1CCOCC1 |
Homo sapiens |
CHEMBL4726193 |
assay format |
CHEMBL3746293 |
OBDepict
CH
3
N
N
N
N
H
O
N
N
H
CH
3
N
H
F
O
S
|
IC50 |
= |
230.0 |
nM |
529.6 |
Cc1c(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)[nH]n2)ccc(F)c1NC(=O)c1cc2ccccc2s1 |
Homo sapiens |
CHEMBL3750473 |
single protein format |
CHEMBL4062498 |
OBDepict
CH
3
O
N
O
O
H
N
N
N
H
2
N
F
N
H
O
N
F
F
F
|
IC50 |
= |
232.0 |
nM |
573.51 |
COCC(=O)N1CCO[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1 |
Homo sapiens |
CHEMBL4057974 |
single protein format |
CHEMBL4107779 |
OBDepict
O
N
H
H
N
N
N
H
2
N
O
N
H
O
N
F
F
F
|
IC50 |
= |
277.0 |
nM |
591.59 |
Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3OC3CC3)c12 |
Homo sapiens |
CHEMBL4727430 |
single protein format |
CHEMBL288441 |
OBDepict
CH
3
O
O
N
N
H
N
N
Cl
O
H
3
C
Cl
N
CH
3
|
IC50 |
= |
282.0 |
nM |
530.46 |
COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl |
Homo sapiens |
CHEMBL1244347 |
single protein format |
CHEMBL1421 |
OBDepict
HO
N
N
N
N
N
H
CH
3
N
S
N
H
O
H
3
C
Cl
|
IC50 |
= |
297.0 |
nM |
488.02 |
Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 |
Homo sapiens |
CHEMBL924605 |
single protein format |
CHEMBL4069387 |
OBDepict
O
N
CH
3
H
3
C
H
N
N
N
H
2
N
F
N
H
O
N
F
F
F
|
IC50 |
= |
378.0 |
nM |
569.56 |
CC(C)C(=O)N1CCC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1 |
Homo sapiens |
CHEMBL4057974 |
single protein format |
CHEMBL4851021 |
OBDepict
H
2
C
N
O
H
HN
O
S
N
H
N
O
N
CH
3
O
|
IC50 |
= |
409.0 |
nM |
539.62 |
C=CC(=O)N1CC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2ccc(Oc3ccccc3)cc2C)C1 |
Homo sapiens |
CHEMBL4818915 |
single protein format |
CHEMBL4075954 |
OBDepict
O
N
CH
3
H
3
C
O
H
N
N
N
H
2
N
F
N
H
O
N
F
F
F
|
IC50 |
= |
428.0 |
nM |
571.54 |
CC(C)C(=O)N1CCO[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1 |
Homo sapiens |
CHEMBL4057974 |
single protein format |
CHEMBL4085457 |
OBDepict
CH
2
N
O
H
CH
3
H
HN
N
N
N
H
|
IC50 |
= |
592.0 |
nM |
285.35 |
C=CC(=O)N1C[C@H](Nc2ncnc3[nH]ccc23)CC[C@@H]1C |
Homo sapiens |
CHEMBL4005778 |
single protein format |
CHEMBL4085457 |
OBDepict
CH
2
N
O
H
CH
3
H
HN
N
N
N
H
|
Ki |
= |
679.0 |
nM |
285.35 |
C=CC(=O)N1C[C@H](Nc2ncnc3[nH]ccc23)CC[C@@H]1C |
Homo sapiens |
CHEMBL4005764 |
single protein format |