molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3704025 |
|
IC50 |
= |
4.0 |
nM |
500.53 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(c3ncccc3O)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704083 |
OBDepict
O
N
H
N
H
N
N
N
F
F
F
N
|
IC50 |
= |
5.0 |
nM |
484.53 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(c3ccccn3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704026 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
H
O
|
IC50 |
= |
5.0 |
nM |
489.54 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](C3CC=CCO3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704082 |
OBDepict
O
N
H
N
H
N
N
N
F
F
F
N
|
IC50 |
= |
5.0 |
nM |
484.53 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(c3cccnc3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704085 |
OBDepict
CH
3
O
N
N
N
H
O
N
H
N
N
F
F
F
|
IC50 |
= |
6.0 |
nM |
514.55 |
COc1cnccc1C1CCC(N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704084 |
OBDepict
O
N
H
N
H
N
N
N
F
F
F
N
OH
|
IC50 |
= |
6.0 |
nM |
500.53 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(c3ccc(O)cn3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704086 |
OBDepict
O
N
H
N
H
N
N
N
F
F
F
OH
|
IC50 |
= |
7.0 |
nM |
499.54 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(c3ccccc3O)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3906803 |
OBDepict
O
N
H
N
H
N
N
N
H
3
C
CH
3
F
F
F
OH
S
N
|
IC50 |
= |
7.0 |
nM |
548.64 |
CC(C)c1nc(NCC(=O)NC2CN(C3CCC(O)(c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc2n1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3966845 |
OBDepict
O
N
H
N
H
N
N
CH
3
N
F
F
F
OH
S
N
|
IC50 |
= |
8.0 |
nM |
520.58 |
Cc1nc(NCC(=O)NC2CN(C3CCC(O)(c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc2n1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704028 |
OBDepict
CH
2
H
H
N
N
H
O
N
H
N
N
F
F
F
|
IC50 |
= |
9.0 |
nM |
433.48 |
C=C[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704029 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
H
O
|
IC50 |
= |
9.0 |
nM |
475.52 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](C3C=CCO3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704079 |
OBDepict
O
N
H
N
H
N
H
N
O
NH
2
F
F
F
OH
S
N
|
IC50 |
= |
9.0 |
nM |
548.59 |
NC(=O)c1cc(NCC(=O)NC2CN([C@H]3CC[C@@](O)(c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc2n1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704087 |
OBDepict
O
N
H
N
H
N
N
N
F
F
F
N
NH
2
|
IC50 |
= |
9.0 |
nM |
499.54 |
Nc1ccc(C2CCC(N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)nc1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704027 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
H
OH
H
3
C
CH
3
|
IC50 |
= |
9.0 |
nM |
479.55 |
CC(C)C(O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3659041 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
OH
S
N
|
IC50 |
= |
9.2 |
nM |
506.55 |
O=C(CNc1cnnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704032 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
H
N
H
O
|
IC50 |
= |
10.0 |
nM |
504.56 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](C3CCCC(=O)N3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704037 |
OBDepict
CH
3
S
HO
H
H
N
N
H
O
N
H
N
N
F
F
F
|
IC50 |
= |
10.0 |
nM |
497.59 |
CSCC(O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704092 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
HO
N
CH
3
|
IC50 |
= |
11.0 |
nM |
514.55 |
Cc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)cn1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704030 |
OBDepict
O
N
H
HN
N
N
H
N
F
F
F
H
N
H
O
|
IC50 |
= |
12.0 |
nM |
502.54 |
O=C1C=CCC([C@H]2CC[C@@H](N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)N1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704116 |
OBDepict
CH
3
O
O
H
H
N
N
H
O
N
H
N
N
F
F
F
|
IC50 |
= |
13.0 |
nM |
479.5 |
CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704101 |
OBDepict
CH
3
HO
H
H
N
N
H
O
N
H
N
N
F
F
F
|
IC50 |
= |
13.0 |
nM |
479.55 |
CCCC(O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL2315922 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
OH
N
S
|
IC50 |
= |
13.0 |
nM |
506.55 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3nccs3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3659057 |
OBDepict
O
NH
HN
N
N
H
N
F
F
F
H
HO
|
IC50 |
= |
14.0 |
nM |
477.53 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](C(O)C3CC3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704115 |
OBDepict
H
3
C
O
N
N
H
O
N
H
N
N
F
F
F
|
IC50 |
= |
14.0 |
nM |
465.52 |
CCOCC1CCC(N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704073 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
H
N
O
|
IC50 |
= |
15.0 |
nM |
500.53 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](n3ccccc3=O)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704033 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
H
O
|
IC50 |
= |
15.0 |
nM |
491.56 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](C3CCCCO3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3659045 |
OBDepict
CH
3
HO
H
H
N
N
H
O
N
H
N
N
F
F
F
|
IC50 |
= |
15.0 |
nM |
465.52 |
CCC(O)[C@H]1CC[C@H](N2CC(NC(=O)CNc3nncc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL2315920 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
H
|
IC50 |
= |
15.0 |
nM |
483.54 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL2315921 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
OH
|
IC50 |
= |
15.0 |
nM |
499.54 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704102 |
OBDepict
CH
2
HO
H
H
N
N
H
O
N
H
N
N
F
F
F
|
IC50 |
= |
16.0 |
nM |
477.53 |
C=CCC(O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704038 |
OBDepict
_
N
+
N
N
HO
H
H
N
N
H
O
N
H
N
N
F
F
F
|
IC50 |
= |
16.0 |
nM |
492.51 |
[N-]=[N+]=NCC(O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704103 |
OBDepict
CH
2
HO
H
H
N
N
H
O
N
H
N
N
F
F
F
|
IC50 |
= |
16.0 |
nM |
463.5 |
C=CC(O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3985434 |
OBDepict
O
N
H
N
H
N
N
F
F
F
OH
N
S
|
IC50 |
= |
17.0 |
nM |
505.57 |
O=C(CNc1ccnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(O)(c3nccs3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3923056 |
OBDepict
O
N
H
N
H
N
N
N
F
F
F
N
H
2
N
|
IC50 |
= |
17.0 |
nM |
499.54 |
Nc1cccnc1C1CCC(N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704093 |
OBDepict
H
3
C
O
N
HO
N
N
H
O
N
H
N
N
F
F
F
|
IC50 |
= |
19.0 |
nM |
530.55 |
COc1ccc(C2(O)CCC(N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)cn1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704117 |
OBDepict
HO
H
H
N
N
H
O
N
H
N
N
F
F
F
|
IC50 |
= |
19.0 |
nM |
451.49 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](CCO)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704110 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
H
OH
S
N
|
IC50 |
= |
19.0 |
nM |
520.58 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](C(O)c3cncs3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3659051 |
OBDepict
O
N
H
N
H
N
N
H
F
F
F
OH
S
N
|
IC50 |
= |
20.0 |
nM |
505.57 |
O=C(CNc1nccc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@](O)(c3cncs3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3659042 |
OBDepict
O
N
H
N
H
N
N
N
H
F
F
F
OH
S
N
|
IC50 |
= |
20.0 |
nM |
506.55 |
O=C(CNc1nncc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@](O)(c3cncs3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704104 |
OBDepict
CH
3
HO
H
H
N
N
H
O
N
H
N
N
F
F
F
|
IC50 |
= |
21.0 |
nM |
465.52 |
CCC(O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704031 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
H
N
H
O
|
IC50 |
= |
21.0 |
nM |
490.53 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](C3CCC(=O)N3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704089 |
OBDepict
N
N
N
H
O
N
H
N
N
F
F
F
|
IC50 |
= |
21.0 |
nM |
508.55 |
N#Cc1ccccc1C1CCC(N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3659048 |
OBDepict
O
N
H
N
H
N
N
N
H
F
F
F
H
OH
H
3
C
CH
3
|
IC50 |
= |
22.0 |
nM |
479.55 |
CC(C)C(O)[C@H]1CC[C@H](N2CC(NC(=O)CNc3nncc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704097 |
OBDepict
O
N
H
N
H
N
N
N
F
F
F
OH
S
N
|
IC50 |
= |
22.0 |
nM |
506.55 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(O)(c3ccns3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704096 |
OBDepict
O
N
H
N
H
N
N
N
F
F
F
OH
S
N
CH
3
H
3
C
|
IC50 |
= |
22.0 |
nM |
548.64 |
CC(C)c1ncc(C2(O)CCC(N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)s1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL2315940 |
OBDepict
N
N
NH
HN
O
F
F
F
N
H
OH
S
N
|
IC50 |
= |
23.0 |
nM |
530.58 |
N#Cc1cc(NCC(=O)NC2CN([C@H]3CC[C@@](O)(c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc2n1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3889833 |
OBDepict
O
N
H
N
H
N
N
N
F
F
F
HO
|
IC50 |
= |
23.0 |
nM |
489.54 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(C3(O)CC=CC3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3659055 |
OBDepict
O
NH
HN
N
N
N
F
F
F
OH
|
IC50 |
= |
24.0 |
nM |
477.53 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(C(O)C3CC3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704105 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
H
OH
|
IC50 |
= |
24.0 |
nM |
505.59 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](C(O)C3CCCC3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704095 |
OBDepict
O
N
H
N
H
N
N
N
F
F
F
OH
S
N
CH
3
|
IC50 |
= |
27.0 |
nM |
520.58 |
Cc1ncc(C2(O)CCC(N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)s1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704043 |
OBDepict
O
N
H
N
H
N
H
N
F
F
F
F
F
F
OH
N
S
|
IC50 |
= |
28.0 |
nM |
573.56 |
O=C(CNc1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3nccs3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704106 |
OBDepict
CH
HO
H
H
N
N
H
O
N
H
N
N
F
F
F
|
IC50 |
= |
28.0 |
nM |
461.49 |
C#CC(O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704111 |
OBDepict
H
3
C
O
H
O
CH
3
H
N
N
H
O
N
H
N
N
F
F
F
|
IC50 |
= |
28.0 |
nM |
507.56 |
CCC(OC(C)=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3955633 |
OBDepict
O
N
H
HN
N
N
N
F
F
F
HO
CH
3
CH
3
|
IC50 |
= |
33.0 |
nM |
465.52 |
CC(C)(O)C1CCC(N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3659053 |
OBDepict
O
N
H
N
H
N
N
H
F
F
F
H
OH
H
3
C
CH
3
|
IC50 |
= |
35.0 |
nM |
478.56 |
CC(C)C(O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nccc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704035 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
H
N
H
O
O
|
IC50 |
= |
35.0 |
nM |
492.5 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](C3COC(=O)N3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704120 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
H
HN
O
CH
3
|
IC50 |
= |
37.0 |
nM |
478.52 |
CC(=O)NC[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704069 |
OBDepict
CH
3
N
H
O
H
N
N
H
O
N
H
N
N
F
F
F
|
IC50 |
= |
37.0 |
nM |
492.55 |
CCCN(C=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3977436 |
OBDepict
O
N
H
N
H
N
N
N
F
F
F
F
F
F
OH
S
N
|
IC50 |
= |
39.0 |
nM |
574.55 |
O=C(CNc1nc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(O)(c3cncs3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704078 |
OBDepict
N
N
N
H
N
H
O
F
F
F
N
H
H
N
O
|
IC50 |
= |
40.0 |
nM |
524.55 |
N#Cc1cc(NCC(=O)NC2CN([C@H]3CC[C@@H](n4ccccc4=O)CC3)C2)c2cc(C(F)(F)F)ccc2n1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704144 |
OBDepict
CH
3
H
2
N
H
H
N
N
H
O
N
H
N
N
F
F
F
|
IC50 |
= |
40.0 |
nM |
464.54 |
CCC(N)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL2315924 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
OH
S
N
|
IC50 |
= |
40.0 |
nM |
506.55 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3659056 |
OBDepict
O
N
H
N
H
N
N
N
F
F
F
OH
H
3
C
CH
3
|
IC50 |
= |
44.0 |
nM |
479.55 |
CC(C)C(O)C1CCC(N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3659052 |
OBDepict
CH
3
HO
H
H
N
N
H
O
N
H
N
F
F
F
|
IC50 |
= |
44.0 |
nM |
464.53 |
CCC(O)[C@H]1CC[C@H](N2CC(NC(=O)CNc3nccc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704034 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
H
O
|
IC50 |
= |
49.0 |
nM |
477.53 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](C3CCCO3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL2315939 |
OBDepict
O
N
H
N
H
N
H
N
F
F
F
F
F
F
OH
S
N
|
IC50 |
= |
50.0 |
nM |
573.56 |
O=C(CNc1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3914065 |
OBDepict
HO
N
N
H
O
N
H
N
N
F
F
F
|
IC50 |
= |
55.0 |
nM |
513.56 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(c3ccccc3CO)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704094 |
OBDepict
H
3
C
O
N
HO
N
N
H
O
N
H
N
N
F
F
F
|
IC50 |
= |
56.0 |
nM |
530.55 |
COc1cccc(C2(O)CCC(N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)n1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704036 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
H
N
H
O
O
|
IC50 |
= |
58.0 |
nM |
506.53 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](C3CCOC(=O)N3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704039 |
OBDepict
CH
3
O
HO
H
H
N
N
H
O
N
H
N
N
F
F
F
|
IC50 |
= |
58.0 |
nM |
481.52 |
COCC(O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704118 |
OBDepict
HO
H
H
N
NH
O
N
H
N
N
F
F
F
|
IC50 |
= |
58.0 |
nM |
437.47 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](CO)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704112 |
OBDepict
O
N
H
N
H
N
N
N
F
F
F
|
IC50 |
= |
63.0 |
nM |
407.44 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCCCC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704041 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
H
O
N
H
O
|
IC50 |
= |
64.0 |
nM |
492.5 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](C3CNC(=O)O3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704070 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
H
N
O
|
IC50 |
= |
64.0 |
nM |
492.55 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](N3CCCCO3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704119 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
H
OH
|
IC50 |
= |
68.0 |
nM |
423.44 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](O)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3934728 |
OBDepict
O
N
H
N
H
N
N
N
F
F
F
N
S
O
O
|
IC50 |
= |
72.0 |
nM |
540.61 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(N3CCS(=O)(=O)CC3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3948121 |
OBDepict
O
N
H
N
H
N
N
F
F
F
OH
S
N
|
IC50 |
= |
72.0 |
nM |
505.57 |
O=C(CNc1ccnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(O)(c3cncs3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3659054 |
OBDepict
CH
3
HO
H
H
N
N
H
O
N
H
N
F
F
F
F
F
|
IC50 |
= |
72.0 |
nM |
514.54 |
CCC(O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nccc4ccc(C(F)(F)C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704053 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
H
OH
F
F
F
|
IC50 |
= |
73.0 |
nM |
505.46 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](C(O)C(F)(F)F)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704107 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
H
OH
H
2
C
CH
3
|
IC50 |
= |
75.0 |
nM |
477.53 |
C=C(C)C(O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704055 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
H
H
2
C
CH
3
|
IC50 |
= |
75.0 |
nM |
447.51 |
C=C(C)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704059 |
OBDepict
O
N
H
N
H
N
N
N
F
F
F
N
O
|
IC50 |
= |
78.0 |
nM |
490.53 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(N3CCCC3=O)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704121 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
H
N
H
O
F
F
F
|
IC50 |
= |
81.0 |
nM |
532.49 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](CNC(=O)C(F)(F)F)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704127 |
OBDepict
CH
3
N
HN
O
N
H
N
N
F
F
F
|
IC50 |
= |
82.0 |
nM |
421.47 |
CC1CCC(N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704128 |
OBDepict
CH
3
O
H
H
3
C
H
N
N
H
O
N
H
N
N
F
F
F
|
IC50 |
= |
83.0 |
nM |
479.55 |
CCC(OC)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3986134 |
OBDepict
O
N
H
N
H
N
N
N
F
F
H
3
C
H
3
C
CH
3
|
IC50 |
= |
85.0 |
nM |
445.56 |
CC(C)C1CCC(N2CC(NC(=O)CNc3ncnc4ccc(C(C)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704108 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
H
HO
CH
3
|
IC50 |
= |
89.0 |
nM |
451.49 |
CC(O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704134 |
OBDepict
H
3
C
O
N
H
3
C
O
N
N
H
O
N
H
N
N
F
F
F
|
IC50 |
= |
91.0 |
nM |
494.52 |
CON(C)C(=O)C1CCC(N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704076 |
OBDepict
O
N
H
N
H
N
H
N
F
F
F
H
N
O
|
IC50 |
= |
91.0 |
nM |
499.54 |
O=C(CNc1ccnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](n3ccccc3=O)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704129 |
OBDepict
CH
3
O
H
H
N
N
H
O
N
H
N
N
F
F
F
|
IC50 |
= |
98.0 |
nM |
465.52 |
COCC[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704044 |
OBDepict
CH
3
HO
H
H
N
N
H
O
N
H
N
F
F
F
F
F
F
|
IC50 |
= |
99.0 |
nM |
532.53 |
CCC(O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3cc(C(F)(F)F)nc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704126 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
H
H
3
C
CH
3
|
IC50 |
= |
100.0 |
nM |
449.52 |
CC(C)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704130 |
OBDepict
H
3
C
O
O
N
N
H
O
N
H
N
N
F
F
F
|
IC50 |
= |
120.0 |
nM |
493.53 |
CCOC(=O)CC1CCC(N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704122 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
H
N
H
O
O
CH
3
H
3
C
CH
3
|
IC50 |
= |
120.0 |
nM |
536.6 |
CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704131 |
OBDepict
O
N
H
N
H
N
N
N
F
F
F
F
F
F
|
IC50 |
= |
130.0 |
nM |
475.44 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(C(F)(F)F)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704077 |
OBDepict
O
N
H
N
H
N
H
N
F
F
F
F
F
F
H
N
O
|
IC50 |
= |
130.0 |
nM |
567.53 |
O=C(CNc1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](n3ccccc3=O)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704091 |
OBDepict
CH
3
N
H
N
N
N
H
O
N
H
N
N
F
F
F
|
IC50 |
= |
130.0 |
nM |
513.57 |
CNc1cnccc1C1CCC(N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704052 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
H
|
IC50 |
= |
140.0 |
nM |
475.56 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](C3CCCC3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704066 |
OBDepict
H
3
C
N
H
O
O
H
N
N
H
O
N
H
N
N
F
F
F
|
IC50 |
= |
160.0 |
nM |
584.64 |
CCN(C(=O)OCc1ccccc1)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |
CHEMBL3704057 |
OBDepict
O
N
H
N
H
N
N
H
N
F
F
F
H
O
|
IC50 |
= |
160.0 |
nM |
491.56 |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](C3CCOCC3)CC2)C1 |
Homo sapiens |
CHEMBL3706360 |
cell-based format |