molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3668200 |
|
Ki |
= |
0.1 |
nM |
500.47 |
Fc1cc(F)cc(-c2ccc3nnc(CNc4ccnc5cc(OCCn6cncn6)cnc45)n3n2)c1 |
Homo sapiens |
CHEMBL3705882 |
assay format |
CHEMBL3582305 |
OBDepict
CH
3
N
H
O
F
N
N
N
N
N
N
|
IC50 |
= |
0.13 |
nM |
413.42 |
CNC(=O)c1ccc(-c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1F |
Homo sapiens |
CHEMBL3583343 |
single protein format |
CHEMBL3188267 |
OBDepict
CH
3
N
H
O
F
N
N
N
N
N
|
IC50 |
= |
0.13 |
nM |
412.43 |
CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F |
Homo sapiens |
CHEMBL3767620 |
single protein format |
CHEMBL3797911 |
OBDepict
CH
3
O
N
O
N
N
N
N
N
|
IC50 |
= |
0.19 |
nM |
384.4 |
COc1ccc2c(OCc3nnc4ncc(-c5ccccc5)nn34)ccnc2c1 |
Homo sapiens |
CHEMBL3801041 |
single protein format |
CHEMBL2032280 |
OBDepict
OH
O
F
F
F
H
2
N
N
N
O
N
N
CH
3
HO
NH
|
IC50 |
= |
0.2 |
nM |
504.47 |
Cc1c(O)ccc2nc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)oc12.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL2034187 |
single protein format |
CHEMBL3674547 |
OBDepict
NH
2
N
H
O
N
H
3
C
N
N
N
N
N
F
N
|
IC50 |
= |
0.2 |
nM |
379.36 |
C/C(=NNC(N)=O)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1 |
Homo sapiens |
CHEMBL3705294 |
single protein format |
CHEMBL3674521 |
OBDepict
NH
2
HN
O
N
H
3
C
N
N
N
N
CH
3
H
N
|
IC50 |
= |
0.2 |
nM |
374.41 |
C/C(=NNC(N)=O)c1ccc2nnc([C@@H](C)c3ccc4ncccc4c3)n2n1 |
Homo sapiens |
CHEMBL3705294 |
single protein format |
CHEMBL3674540 |
OBDepict
NH
2
N
H
O
N
H
HN
N
N
N
N
N
N
|
IC50 |
= |
0.2 |
nM |
362.36 |
N=C(NNC(N)=O)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1 |
Homo sapiens |
CHEMBL3705294 |
single protein format |
CHEMBL4104884 |
OBDepict
CH
3
N
N
N
F
F
N
CH
3
N
N
N
N
F
O
NH
2
|
IC50 |
= |
0.3 |
nM |
529.49 |
CC(c1c(F)cc2ncc(-c3cnn(C)c3)cc2c1F)n1nnc2ncc(-c3ccc(C(N)=O)c(F)c3)nc21 |
Homo sapiens |
CHEMBL4021199 |
single protein format |
CHEMBL3668185 |
OBDepict
CH
3
O
N
O
N
N
N
F
S
H
3
C
|
Ki |
= |
0.3 |
nM |
420.47 |
COc1ccc2c(OCc3nnc4c(F)cc(-c5cc(C)cs5)cn34)ccnc2c1 |
Homo sapiens |
CHEMBL3705882 |
assay format |
CHEMBL3674515 |
OBDepict
NH
2
N
H
O
N
H
3
C
N
N
N
N
F
F
N
|
IC50 |
= |
0.3 |
nM |
396.36 |
C/C(=NNC(N)=O)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1 |
Homo sapiens |
CHEMBL3705294 |
single protein format |
CHEMBL3674541 |
OBDepict
NH
2
N
H
O
N
N
N
N
N
N
N
|
IC50 |
= |
0.3 |
nM |
347.34 |
NC(=O)N/N=C/c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1 |
Homo sapiens |
CHEMBL3705294 |
single protein format |
CHEMBL4061378 |
OBDepict
CH
3
N
N
N
N
CH
3
N
N
N
N
N
|
IC50 |
= |
0.3 |
nM |
433.48 |
CC(c1ccc2ncc(-c3cnn(C)c3)cc2c1)n1nnc2ncc(-c3ccncc3)nc21 |
Homo sapiens |
CHEMBL4021199 |
single protein format |
CHEMBL2376640 |
OBDepict
Cl
Cl
O
H
3
C
H
F
N
H
O
NH
O
O
|
IC50 |
= |
0.32 |
nM |
429.28 |
C[C@@H](Oc1c[nH]c(=O)c(C(=O)NC2CCOCC2)c1)c1c(Cl)ccc(F)c1Cl |
Homo sapiens |
CHEMBL2379920 |
single protein format |
CHEMBL3674495 |
OBDepict
NH
2
N
H
O
N
H
3
C
N
N
N
F
F
N
|
IC50 |
= |
0.4 |
nM |
395.37 |
C/C(=NNC(N)=O)c1ccc2ncc(Cc3c(F)cc4ncccc4c3F)n2n1 |
Homo sapiens |
CHEMBL3705294 |
single protein format |
CHEMBL4070258 |
OBDepict
HO
N
N
N
N
N
N
N
CH
3
F
F
N
N
N
H
3
C
|
IC50 |
= |
0.4 |
nM |
502.49 |
CC(c1c(F)cc2ncc(-c3cnn(C)c3)cc2c1F)n1nnc2ncc(-c3cnn(CCO)c3)nc21 |
Homo sapiens |
CHEMBL4021199 |
single protein format |
CHEMBL3674548 |
OBDepict
CH
3
N
H
O
N
H
3
C
N
N
N
N
N
F
N
|
IC50 |
= |
0.4 |
nM |
378.37 |
CC(=O)N/N=C(C)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1 |
Homo sapiens |
CHEMBL3705294 |
single protein format |
CHEMBL3651418 |
OBDepict
O
N
H
3
C
N
N
N
N
F
F
N
|
IC50 |
= |
0.4 |
nM |
354.32 |
CC(N=O)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1 |
Homo sapiens |
CHEMBL3705316 |
single protein format |
CHEMBL3674505 |
OBDepict
NH
2
HN
O
N
H
3
C
N
N
N
CH
3
H
N
|
IC50 |
= |
0.4 |
nM |
373.42 |
C/C(=NNC(N)=O)c1ccc2ncc([C@@H](C)c3ccc4ncccc4c3)n2n1 |
Homo sapiens |
CHEMBL3705294 |
single protein format |
CHEMBL4097173 |
OBDepict
H
3
C
N
N
N
F
F
N
CH
3
N
N
N
N
N
N
H
3
C
|
IC50 |
= |
0.4 |
nM |
472.46 |
CC(c1c(F)cc2ncc(-c3cnn(C)c3)cc2c1F)n1nnc2ncc(-c3cnn(C)c3)nc21 |
Homo sapiens |
CHEMBL4021199 |
single protein format |
CHEMBL2032026 |
OBDepict
OH
N
N
H
3
C
O
N
H
O
N
O
N
O
CH
3
|
Ki |
= |
0.4 |
nM |
511.54 |
COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CCO)n(-c5ccccc5)c4=O)nc3)ccnc2c1 |
Homo sapiens |
CHEMBL2034704 |
single protein format |
CHEMBL3800471 |
OBDepict
OH
N
N
N
N
N
N
|
IC50 |
= |
0.42 |
nM |
354.37 |
Oc1cccc(-c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2)c1 |
Homo sapiens |
CHEMBL3801041 |
single protein format |
CHEMBL4214018 |
OBDepict
H
3
C
N
N
N
N
O
O
N
O
NH
O
NH
2
|
IC50 |
= |
0.44 |
nM |
587.64 |
Cn1cc(-c2ccc(=O)n(CCOc3ccnc4cc(OCc5ccc(C(=O)Nc6ccccc6N)cc5)ccc34)n2)cn1 |
Homo sapiens |
CHEMBL4193718 |
assay format |
CHEMBL3797579 |
OBDepict
F
N
N
N
N
N
F
F
N
|
IC50 |
= |
0.46 |
nM |
392.34 |
Fc1ccc(-c2cnc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cc1 |
Homo sapiens |
CHEMBL3802638 |
cell-based format |
CHEMBL3797914 |
OBDepict
CH
3
N
N
N
N
N
N
N
N
|
IC50 |
= |
0.46 |
nM |
342.37 |
Cn1cc(-c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2)cn1 |
Homo sapiens |
CHEMBL3801041 |
single protein format |
CHEMBL3651416 |
OBDepict
NH
2
O
O
N
H
3
C
N
N
N
N
CH
3
H
F
F
N
|
IC50 |
= |
0.48 |
nM |
411.37 |
C/C(=NOC(N)=O)c1ccc2nnc([C@H](C)c3c(F)cc4ncccc4c3F)n2n1 |
Homo sapiens |
CHEMBL3705316 |
single protein format |
CHEMBL4074262 |
OBDepict
OH
N
N
N
N
N
N
N
CH
3
F
N
N
N
H
3
C
|
IC50 |
= |
0.48 |
nM |
484.5 |
CC(c1cc2cc(-c3cnn(C)c3)cnc2cc1F)n1nnc2ncc(-c3cnn(CCO)c3)nc21 |
Homo sapiens |
CHEMBL4021199 |
single protein format |
CHEMBL3799192 |
OBDepict
N
N
N
N
N
N
|
IC50 |
= |
0.49 |
nM |
338.37 |
c1ccc(-c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1 |
Homo sapiens |
CHEMBL3801041 |
single protein format |
CHEMBL4073110 |
OBDepict
CH
3
N
N
N
N
CH
3
N
N
N
N
N
N
CH
3
|
IC50 |
= |
0.5 |
nM |
436.48 |
CC(c1ccc2ncc(-c3cnn(C)c3)cc2c1)n1nnc2ncc(-c3cnn(C)c3)nc21 |
Homo sapiens |
CHEMBL4021199 |
single protein format |
CHEMBL4076438 |
OBDepict
CH
3
N
N
N
F
F
N
H
3
C
N
N
N
N
N
|
IC50 |
= |
0.5 |
nM |
469.46 |
CC(c1c(F)cc2ncc(-c3cnn(C)c3)cc2c1F)n1nnc2ncc(-c3ccncc3)nc21 |
Homo sapiens |
CHEMBL4021199 |
single protein format |
CHEMBL3674550 |
OBDepict
CH
3
N
N
NH
N
N
O
N
N
N
F
N
|
IC50 |
= |
0.5 |
nM |
441.43 |
C/C(=NNC(=O)c1ccncc1)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1 |
Homo sapiens |
CHEMBL3705294 |
single protein format |
CHEMBL4091023 |
OBDepict
CH
3
HN
O
F
N
N
N
N
N
CH
3
N
N
N
H
3
C
|
IC50 |
= |
0.5 |
nM |
507.53 |
CNC(=O)c1ccc(-c2cnc3nnn(C(C)c4ccc5ncc(-c6cnn(C)c6)cc5c4)c3n2)cc1F |
Homo sapiens |
CHEMBL4021199 |
single protein format |
CHEMBL3800420 |
OBDepict
CH
3
N
N
N
N
N
N
N
F
F
N
|
IC50 |
= |
0.5 |
nM |
378.35 |
Cn1cc(-c2cnc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1 |
Homo sapiens |
CHEMBL3801041 |
single protein format |
CHEMBL3798905 |
OBDepict
F
F
N
N
N
N
N
N
O
|
IC50 |
= |
0.5 |
nM |
364.32 |
FC(F)(c1ccc2ncccc2c1)c1nnc2ncc(-c3ccco3)nn12 |
Homo sapiens |
CHEMBL3801041 |
single protein format |
CHEMBL4064183 |
OBDepict
HO
N
N
N
N
N
N
N
H
3
C
N
N
N
H
3
C
|
IC50 |
= |
0.5 |
nM |
466.51 |
CC(c1ccc2ncc(-c3cnn(C)c3)cc2c1)n1nnc2ncc(-c3cnn(CCO)c3)nc21 |
Homo sapiens |
CHEMBL4021199 |
single protein format |
CHEMBL1822369 |
OBDepict
OH
H
N
N
H
O
Br
N
H
N
O
N
H
O
O
|
IC50 |
= |
0.5 |
nM |
584.47 |
O=C(Cc1ccc2c(c1)CCO2)N/N=C1C(=O)Nc2cc(C(=O)NCCCN3CCC[C@@H]3CO)cc(Br)c21 |
Homo sapiens |
CHEMBL1826790 |
single protein format |
CHEMBL3919012 |
OBDepict
OH
H
N
N
H
O
Br
N
H
N
NH
O
O
|
IC50 |
= |
0.5 |
nM |
584.52 |
O=C(Cc1ccc2c(c1)CCO2)N/N=C1CNc2cc(C(=O)NCCCCN3CCC[C@H]3CO)cc(Br)c21 |
Homo sapiens |
CHEMBL3866471 |
cell-based format |
CHEMBL2431835 |
OBDepict
HO
N
N
N
N
N
N
N
CH
3
H
N
|
IC50 |
= |
0.5 |
nM |
386.42 |
C[C@@H](c1ccc2ncccc2c1)n1nnc2ncc(-c3cnn(CCO)c3)nc21 |
Homo sapiens |
CHEMBL2433360 |
cell-based format |
CHEMBL3674524 |
OBDepict
NH
2
N
H
O
N
H
3
C
N
N
N
N
CH
3
F
F
N
|
IC50 |
= |
0.5 |
nM |
410.39 |
C/C(=NNC(N)=O)c1ccc2nnc(C(C)c3c(F)cc4ncccc4c3F)n2n1 |
Homo sapiens |
CHEMBL3705294 |
single protein format |
CHEMBL4209174 |
OBDepict
OH
HN
O
O
N
O
N
N
O
N
N
CH
3
|
IC50 |
= |
0.54 |
nM |
506.56 |
Cn1cc(-c2ccc(=O)n(CCOc3ccnc4cc(OCCCCCCC(=O)NO)ccc34)n2)cn1 |
Homo sapiens |
CHEMBL4193718 |
assay format |
CHEMBL3800559 |
OBDepict
H
3
C
O
N
N
N
N
N
N
|
IC50 |
= |
0.59 |
nM |
368.4 |
COc1cccc(-c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2)c1 |
Homo sapiens |
CHEMBL3801041 |
single protein format |
CHEMBL4060354 |
OBDepict
CH
3
N
N
N
F
N
H
3
C
N
N
N
N
F
O
H
2
N
|
IC50 |
= |
0.6 |
nM |
511.5 |
CC(c1cc2cc(-c3cnn(C)c3)cnc2cc1F)n1nnc2ncc(-c3ccc(C(N)=O)c(F)c3)nc21 |
Homo sapiens |
CHEMBL4021199 |
single protein format |
CHEMBL4443952 |
OBDepict
CH
3
O
N
O
N
H
O
F
O
Cl
N
H
2
N
|
IC50 |
= |
0.6 |
nM |
530.94 |
COc1ccc(-n2c(=O)c(C(=O)Nc3ccc(Oc4ccnc(N)c4Cl)c(F)c3)cc3ccccc32)cc1 |
Homo sapiens |
CHEMBL4432475 |
single protein format |
CHEMBL2031912 |
OBDepict
CH
3
O
N
O
F
N
H
O
N
O
N
H
3
C
O
|
Ki |
= |
0.6 |
nM |
554.58 |
COc1ccc2c(Oc3ccc(NC(=O)c4c(C5CCOC5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1 |
Homo sapiens |
CHEMBL2034704 |
single protein format |
CHEMBL2032015 |
OBDepict
CH
3
O
N
O
N
N
H
O
N
O
N
N
H
3
C
|
Ki |
= |
0.6 |
nM |
544.57 |
COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5ccccn5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1 |
Homo sapiens |
CHEMBL2034704 |
single protein format |
CHEMBL2032014 |
OBDepict
CH
3
O
N
O
N
N
H
O
N
O
N
H
3
C
N
|
Ki |
= |
0.6 |
nM |
544.57 |
COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5ccncc5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1 |
Homo sapiens |
CHEMBL2034704 |
single protein format |
CHEMBL3093579 |
OBDepict
O
N
H
N
N
O
F
NH
O
O
N
CH
3
ClH
|
IC50 |
= |
0.61 |
nM |
574.01 |
Cc1ccc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c(F)c2)c(=O)n1-c1ccccc1.Cl |
Homo sapiens |
CHEMBL3094548 |
single protein format |
CHEMBL3093581 |
OBDepict
O
N
H
N
N
O
F
N
H
O
O
N
|
IC50 |
= |
0.68 |
nM |
523.52 |
O=C(Nc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3c2)c(F)c1)c1cccn(-c2ccccc2)c1=O |
Homo sapiens |
CHEMBL3094548 |
single protein format |
CHEMBL2376648 |
OBDepict
CH
3
N
N
O
N
H
O
N
N
O
NH
2
CH
3
H
Cl
Cl
F
|
IC50 |
= |
0.69 |
nM |
547.42 |
C[C@@H](Oc1cc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)nnc1N)c1c(Cl)ccc(F)c1Cl |
Homo sapiens |
CHEMBL2379921 |
single protein format |
CHEMBL2431834 |
OBDepict
H
3
C
N
N
N
N
N
N
N
H
3
C
H
N
|
IC50 |
= |
0.7 |
nM |
356.39 |
C[C@@H](c1ccc2ncccc2c1)n1nnc2ncc(-c3cnn(C)c3)nc21 |
Homo sapiens |
CHEMBL2433360 |
cell-based format |
CHEMBL3950207 |
OBDepict
O
N
H
N
N
H
O
Br
N
H
O
N
O
|
IC50 |
= |
0.7 |
nM |
542.43 |
O=C(Cc1ccc2c(c1)CCO2)N/N=C1CNc2cc(C(=O)NCCN3CCOCC3)cc(Br)c21 |
Homo sapiens |
CHEMBL3866471 |
cell-based format |
CHEMBL3889870 |
OBDepict
O
N
H
N
N
H
O
Br
N
H
O
N
H
HO
|
IC50 |
= |
0.7 |
nM |
570.49 |
O=C(Cc1ccc2c(c1)CCO2)N/N=C1CNc2cc(C(=O)NCCCCN3CC[C@H](O)C3)cc(Br)c21 |
Homo sapiens |
CHEMBL3866471 |
cell-based format |
CHEMBL4070051 |
OBDepict
H
3
C
N
N
N
N
H
3
C
N
N
N
N
F
O
NH
2
|
IC50 |
= |
0.7 |
nM |
493.51 |
CC(c1ccc2ncc(-c3cnn(C)c3)cc2c1)n1nnc2ncc(-c3ccc(C(N)=O)c(F)c3)nc21 |
Homo sapiens |
CHEMBL4021199 |
single protein format |
CHEMBL4578460 |
OBDepict
CH
3
CH
3
N
O
N
H
O
F
O
Cl
N
H
2
N
|
IC50 |
= |
0.7 |
nM |
528.97 |
Cc1cc(C)cc(-n2c(=O)c(C(=O)Nc3ccc(Oc4ccnc(N)c4Cl)c(F)c3)cc3ccccc32)c1 |
Homo sapiens |
CHEMBL4432475 |
single protein format |
CHEMBL3818247 |
OBDepict
O
N
O
CH
3
N
S
N
N
N
F
N
N
CH
3
|
IC50 |
= |
0.7 |
nM |
461.48 |
CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc21 |
Homo sapiens |
CHEMBL3819777 |
single protein format |
CHEMBL4083235 |
OBDepict
CH
3
N
N
N
F
N
CH
3
N
N
N
N
N
N
CH
3
|
IC50 |
= |
0.7 |
nM |
454.47 |
CC(c1cc2cc(-c3cnn(C)c3)cnc2cc1F)n1nnc2ncc(-c3cnn(C)c3)nc21 |
Homo sapiens |
CHEMBL4021199 |
single protein format |
CHEMBL3674508 |
OBDepict
NH
2
HN
O
N
H
3
C
N
N
N
N
F
F
N
|
IC50 |
= |
0.7 |
nM |
396.36 |
C/C(=NNC(N)=O)c1ccc2nnc(C(F)(F)c3ccc4ncccc4c3)n2n1 |
Homo sapiens |
CHEMBL3705294 |
single protein format |
CHEMBL4068290 |
OBDepict
H
3
C
N
N
N
F
N
CH
3
N
N
N
N
N
|
IC50 |
= |
0.7 |
nM |
451.47 |
CC(c1cc2cc(-c3cnn(C)c3)cnc2cc1F)n1nnc2ncc(-c3ccncc3)nc21 |
Homo sapiens |
CHEMBL4021199 |
single protein format |
CHEMBL1822368 |
OBDepict
O
N
H
N
O
N
H
O
Br
N
H
O
N
H
HO
|
IC50 |
= |
0.7 |
nM |
570.44 |
O=C(Cc1ccc2c(c1)CCO2)N/N=C1C(=O)Nc2cc(C(=O)NCCCN3CC[C@@H](O)C3)cc(Br)c21 |
Homo sapiens |
CHEMBL1826790 |
single protein format |
CHEMBL3582300 |
OBDepict
O
HN
F
HN
N
F
N
N
|
IC50 |
= |
0.7 |
nM |
511.58 |
O=C(NCC1CCCCN1)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F |
Homo sapiens |
CHEMBL3583343 |
single protein format |
CHEMBL3221134 |
OBDepict
D
N
H
+
N
O
_
O
N
F
F
F
N
N
OH
D
D
|
IC50 |
= |
0.7 |
nM |
478.49 |
[2H]C(Nc1cc(C(F)(F)F)cc2ncc(N3CCN(CC([2H])([2H])O)CC3)cc12)c1cccc([N+](=O)[O-])c1 |
Homo sapiens |
CHEMBL3226601 |
single protein format |
CHEMBL1822366 |
OBDepict
O
N
H
N
O
N
H
O
Br
N
H
O
N
O
|
IC50 |
= |
0.7 |
nM |
542.39 |
O=C(Cc1ccc2c(c1)CCO2)N/N=C1C(=O)Nc2cc(C(=O)NCN3CCOCC3)cc(Br)c21 |
Homo sapiens |
CHEMBL1826790 |
single protein format |
CHEMBL2032019 |
OBDepict
CH
3
O
N
O
N
N
H
O
N
O
N
N
H
3
C
S
CH
3
|
Ki |
= |
0.7 |
nM |
564.63 |
COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5csc(C)n5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1 |
Homo sapiens |
CHEMBL2034704 |
single protein format |
CHEMBL3668198 |
OBDepict
CH
3
S
N
N
N
N
N
|
Ki |
= |
0.7 |
nM |
357.44 |
Cc1csc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1 |
Homo sapiens |
CHEMBL3705882 |
assay format |
CHEMBL2032018 |
OBDepict
CH
3
O
N
O
N
N
H
O
N
O
N
N
H
3
C
O
CH
3
|
Ki |
= |
0.7 |
nM |
548.56 |
COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5cc(C)on5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1 |
Homo sapiens |
CHEMBL2034704 |
single protein format |
CHEMBL1766539 |
OBDepict
_
O
+
N
O
N
H
N
F
F
F
N
O
|
IC50 |
= |
0.72 |
nM |
432.4 |
O=[N+]([O-])c1cccc(CNc2cc(C(F)(F)F)cc3ncc(N4CCOCC4)cc23)c1 |
Homo sapiens |
CHEMBL1768668 |
single protein format |
CHEMBL4204308 |
OBDepict
OH
HN
O
O
N
O
N
N
O
N
N
CH
3
|
IC50 |
= |
0.73 |
nM |
492.54 |
Cn1cc(-c2ccc(=O)n(CCOc3ccnc4cc(OCCCCCC(=O)NO)ccc34)n2)cn1 |
Homo sapiens |
CHEMBL4193718 |
assay format |
CHEMBL4113131 |
OBDepict
O
HN
N
N
O
H
2
N
CH
3
H
N
O
Cl
Cl
F
H
CH
3
N
H
H
H
3
C
|
IC50 |
= |
0.74 |
nM |
561.45 |
C[C@H]1CN(C(=O)c2ccc(NC(=O)c3cc(O[C@H](C)c4c(Cl)ccc(F)c4Cl)c(N)nn3)cc2)C[C@@H](C)N1 |
Homo sapiens |
CHEMBL4378230 |
single protein format |
CHEMBL3093582 |
OBDepict
O
N
H
N
N
N
O
F
N
H
O
O
N
CH
3
|
IC50 |
= |
0.77 |
nM |
538.54 |
Cc1ccc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c(F)c2)c(=O)n1-c1ccccc1 |
Homo sapiens |
CHEMBL3094548 |
single protein format |
CHEMBL1766544 |
OBDepict
CH
3
O
O
N
N
N
NH
F
F
F
+
N
O
_
O
|
IC50 |
= |
0.77 |
nM |
517.51 |
CCOC(=O)CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1 |
Homo sapiens |
CHEMBL1768668 |
single protein format |
CHEMBL2032031 |
OBDepict
H
2
N
OH
N
N
H
3
C
O
N
H
O
F
O
N
O
CH
3
|
Ki |
= |
0.8 |
nM |
557.58 |
COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(O)CN)n(-c5ccccc5)c4=O)cc3F)ccnc2c1 |
Homo sapiens |
CHEMBL2034704 |
single protein format |
CHEMBL2032016 |
OBDepict
CH
3
O
N
O
N
N
H
O
N
O
N
H
3
C
N
|
Ki |
= |
0.8 |
nM |
544.57 |
COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5cccnc5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1 |
Homo sapiens |
CHEMBL2034704 |
single protein format |
CHEMBL3674535 |
OBDepict
H
2
N
N
O
N
CH
3
CH
3
N
N
N
N
N
N
|
IC50 |
= |
0.8 |
nM |
375.4 |
C/C(=NN(C)C(N)=O)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1 |
Homo sapiens |
CHEMBL3705294 |
single protein format |
CHEMBL4873571 |
OBDepict
O
N
H
N
O
F
NH
O
N
O
N
CH
3
H
3
C
O
F
|
IC50 |
= |
0.8 |
nM |
561.55 |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL4823595 |
single protein format |
CHEMBL2032029 |
OBDepict
H
3
C
O
N
O
N
N
H
O
H
3
C
N
O
N
HO
CH
3
|
Ki |
= |
0.8 |
nM |
525.57 |
COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1 |
Homo sapiens |
CHEMBL2034704 |
single protein format |
CHEMBL1766543 |
OBDepict
_
O
+
N
O
NH
N
F
F
F
N
N
S
O
O
CH
3
|
IC50 |
= |
0.82 |
nM |
509.51 |
CS(=O)(=O)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1 |
Homo sapiens |
CHEMBL1768668 |
single protein format |
CHEMBL1766542 |
OBDepict
_
O
+
N
O
N
H
N
F
F
F
N
N
S
O
O
|
IC50 |
= |
0.84 |
nM |
535.55 |
O=[N+]([O-])c1cccc(CNc2cc(C(F)(F)F)cc3ncc(N4CCN(S(=O)(=O)C5CC5)CC4)cc23)c1 |
Homo sapiens |
CHEMBL1768668 |
single protein format |
CHEMBL3668132 |
OBDepict
CH
3
O
N
N
HN
N
N
N
N
N
|
Ki |
= |
0.9 |
nM |
384.4 |
COc1cnc2c(NCc3nnc4ncc(-c5ccccc5)nn34)ccnc2c1 |
Homo sapiens |
CHEMBL3705882 |
assay format |
CHEMBL2032023 |
OBDepict
H
3
C
O
N
O
F
NH
O
H
3
C
N
O
N
H
2
C
CH
3
|
Ki |
= |
0.9 |
nM |
538.58 |
C=C(C)Cn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n1-c1ccccc1 |
Homo sapiens |
CHEMBL2034704 |
single protein format |
CHEMBL2031911 |
OBDepict
CH
3
O
N
O
F
N
H
O
N
O
N
O
H
3
C
|
Ki |
= |
0.9 |
nM |
554.58 |
COc1ccc2c(Oc3ccc(NC(=O)c4c(C5CCCO5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1 |
Homo sapiens |
CHEMBL2034704 |
single protein format |
CHEMBL2029375 |
OBDepict
CH
3
OH
H
N
N
CH
3
O
HN
O
F
O
N
O
CH
3
|
Ki |
= |
0.9 |
nM |
556.59 |
CC[C@H](O)Cn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n1-c1ccccc1 |
Homo sapiens |
CHEMBL2034704 |
single protein format |
CHEMBL3799263 |
OBDepict
H
3
C
N
N
N
N
N
N
N
F
F
N
|
IC50 |
= |
0.9 |
nM |
406.4 |
CCCn1cc(-c2cnc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1 |
Homo sapiens |
CHEMBL3801041 |
single protein format |
CHEMBL3221131 |
OBDepict
CH
3
N
N
N
N
H
D
F
F
F
+
N
O
_
O
|
IC50 |
= |
0.9 |
nM |
446.45 |
[2H]C(Nc1cc(C(F)(F)F)cc2ncc(N3CCN(C)CC3)cc12)c1cccc([N+](=O)[O-])c1 |
Homo sapiens |
CHEMBL3226601 |
single protein format |
CHEMBL3923620 |
OBDepict
CH
3
N
N
N
N
N
O
N
N
N
OH
H
F
N
|
IC50 |
= |
0.9 |
nM |
419.38 |
C/C(=Nn1cc(O)[nH]c1=O)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1 |
Homo sapiens |
CHEMBL3705294 |
single protein format |
CHEMBL3582301 |
OBDepict
O
HN
F
NH
N
F
N
N
|
IC50 |
= |
0.9 |
nM |
497.55 |
O=C(NC1CCCNC1)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F |
Homo sapiens |
CHEMBL3583343 |
single protein format |
CHEMBL3260967 |
OBDepict
CH
3
O
N
N
H
O
O
F
F
O
N
O
CH
3
O
CH
3
|
IC50 |
= |
0.9 |
nM |
573.55 |
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1 |
Homo sapiens |
CHEMBL3268019 |
single protein format |
CHEMBL4075149 |
OBDepict
CH
3
HN
O
F
N
N
N
N
N
CH
3
F
F
N
N
N
H
3
C
|
IC50 |
= |
0.9 |
nM |
543.51 |
CNC(=O)c1ccc(-c2cnc3nnn(C(C)c4c(F)cc5ncc(-c6cnn(C)c6)cc5c4F)c3n2)cc1F |
Homo sapiens |
CHEMBL4021199 |
single protein format |
CHEMBL1766528 |
OBDepict
CH
3
N
N
N
N
H
F
F
F
+
N
O
_
O
|
IC50 |
= |
0.93 |
nM |
445.45 |
CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1 |
Homo sapiens |
CHEMBL1768668 |
single protein format |
CHEMBL1766529 |
OBDepict
CH
3
N
O
N
N
N
H
F
F
F
+
N
O
_
O
|
IC50 |
= |
0.95 |
nM |
473.46 |
CC(=O)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1 |
Homo sapiens |
CHEMBL1768668 |
single protein format |
CHEMBL4205747 |
OBDepict
OH
HN
O
O
N
O
N
N
O
N
N
CH
3
|
IC50 |
= |
0.96 |
nM |
478.51 |
Cn1cc(-c2ccc(=O)n(CCOc3ccnc4cc(OCCCCC(=O)NO)ccc34)n2)cn1 |
Homo sapiens |
CHEMBL4193718 |
assay format |
CHEMBL4209005 |
OBDepict
O
HN
H
2
N
O
N
O
N
N
O
N
N
CH
3
|
IC50 |
= |
0.96 |
nM |
567.65 |
Cn1cc(-c2ccc(=O)n(CCOc3ccnc4cc(OCCCCCC(=O)Nc5ccccc5N)ccc34)n2)cn1 |
Homo sapiens |
CHEMBL4193718 |
assay format |
CHEMBL3674512 |
OBDepict
NH
2
N
H
O
N
H
3
C
N
N
N
N
N
|
IC50 |
= |
1.0 |
nM |
360.38 |
C/C(=NNC(N)=O)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1 |
Homo sapiens |
CHEMBL3705294 |
single protein format |
CHEMBL3959443 |
OBDepict
OH
N
N
N
N
N
O
N
N
N
N
N
F
N
|
IC50 |
= |
1.0 |
nM |
527.52 |
N#Cc1cc(-c2cnc3nnn(CC4CN(c5ncc(-c6cnn(CCO)c6)cn5)CCO4)c3n2)ccc1F |
Homo sapiens |
CHEMBL3888808 |
single protein format |
CHEMBL3974451 |
OBDepict
CH
3
N
N
N
N
O
N
N
OH
H
F
N
|
IC50 |
= |
1.0 |
nM |
417.4 |
C/C(=Nn1cc(O)[nH]c1=O)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 |
Homo sapiens |
CHEMBL3705294 |
single protein format |
CHEMBL3674485 |
OBDepict
NH
2
N
O
N
H
3
C
H
3
C
N
N
N
F
N
|
IC50 |
= |
1.0 |
nM |
391.41 |
C/C(=NN(C)C(N)=O)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 |
Homo sapiens |
CHEMBL3705294 |
single protein format |
CHEMBL3674478 |
OBDepict
NH
2
N
H
O
N
H
3
C
N
N
N
F
N
|
IC50 |
= |
1.0 |
nM |
377.38 |
C/C(=NNC(N)=O)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 |
Homo sapiens |
CHEMBL3705294 |
single protein format |
CHEMBL3659624 |
OBDepict
CH
3
N
H
O
CH
3
N
N
N
N
N
|
IC50 |
= |
1.0 |
nM |
408.47 |
CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1C |
Homo sapiens |
CHEMBL3705272 |
single protein format |
CHEMBL3659623 |
OBDepict
CH
3
N
H
O
N
N
N
N
N
N
|
IC50 |
= |
1.0 |
nM |
395.43 |
CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cn1 |
Homo sapiens |
CHEMBL3705272 |
single protein format |
CHEMBL3659622 |
OBDepict
CH
3
O
N
N
NH
H
3
C
H
O
Cl
N
N
N
N
N
|
IC50 |
= |
1.0 |
nM |
524.97 |
Cc1nc([C@H](C)NC(=O)c2ccc(-c3cnc4ncc(Cc5ccc6ncccc6c5)n4n3)cc2Cl)no1 |
Homo sapiens |
CHEMBL3705272 |
single protein format |
CHEMBL3659620 |
OBDepict
O
HN
F
OH
CH
3
H
N
N
N
N
N
|
IC50 |
= |
1.0 |
nM |
456.48 |
C[C@@H](O)CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F |
Homo sapiens |
CHEMBL3705272 |
single protein format |