molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL316034 |
|
Ki |
= |
2.2 |
nM |
167.12 |
O=C(O)c1ccnc(C(=O)O)c1 |
Homo sapiens |
CHEMBL3776533 |
assay format |
CHEMBL4225358 |
OBDepict
OH
O
N
N
N
O
|
IC50 |
= |
5.0 |
nM |
295.3 |
O=C(O)c1ccnc(-n2nccc2OCc2ccccc2)c1 |
Homo sapiens |
CHEMBL4223292 |
single protein format |
CHEMBL4211946 |
OBDepict
CH
3
O
H
N
H
N
O
OH
|
IC50 |
= |
6.0 |
nM |
312.37 |
COc1ccc2c(c1)CCC[C@H]2CNc1cnccc1C(=O)O |
Homo sapiens |
CHEMBL4193838 |
single protein format |
CHEMBL4207583 |
OBDepict
HO
O
N
H
N
H
|
IC50 |
= |
8.0 |
nM |
282.34 |
O=C(O)c1ccncc1NC[C@@H]1CCCc2ccccc21 |
Homo sapiens |
CHEMBL4193838 |
single protein format |
CHEMBL1517074 |
OBDepict
CH
3
O
N
N
N
CH
3
N
O
N
H
3
C
O
|
IC50 |
= |
8.0 |
nM |
299.29 |
COc1ccc(-c2nc3c(=O)n(C)c(=O)nc-3n(C)n2)cc1 |
Homo sapiens |
CHEMBL4610601 |
single protein format |
CHEMBL4648732 |
OBDepict
N
N
N
N
CH
3
N
O
N
H
3
C
O
|
IC50 |
= |
11.0 |
nM |
294.27 |
Cn1nc(-c2ccc(C#N)cc2)nc2c(=O)n(C)c(=O)nc1-2 |
Homo sapiens |
CHEMBL4610601 |
single protein format |
CHEMBL4204375 |
OBDepict
OH
O
N
H
N
|
IC50 |
= |
12.0 |
nM |
282.34 |
O=C(O)c1ccncc1NCC1CCCc2ccccc21 |
Homo sapiens |
CHEMBL4193838 |
single protein format |
CHEMBL4229271 |
OBDepict
N
O
N
N
N
O
OH
|
IC50 |
= |
14.0 |
nM |
320.31 |
N#Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1 |
Homo sapiens |
CHEMBL4223292 |
single protein format |
CHEMBL4646339 |
OBDepict
CH
3
N
H
3
C
N
N
N
CH
3
N
O
N
CH
3
O
|
IC50 |
= |
16.0 |
nM |
312.33 |
CN(C)c1ccccc1-c1nc2c(=O)n(C)c(=O)nc-2n(C)n1 |
Homo sapiens |
CHEMBL4610601 |
single protein format |
CHEMBL4207071 |
OBDepict
OH
O
N
H
N
H
O
|
IC50 |
= |
17.0 |
nM |
374.44 |
O=C(O)c1ccncc1NC[C@@H]1CCCc2cc(Oc3ccccc3)ccc21 |
Homo sapiens |
CHEMBL4193838 |
single protein format |
CHEMBL4228806 |
OBDepict
H
3
C
N
CH
3
N
O
N
N
O
OH
F
|
IC50 |
= |
19.0 |
nM |
384.41 |
CN(C)CCc1cnn(-c2cc(C(=O)O)ccn2)c1OCc1ccc(F)cc1 |
Homo sapiens |
CHEMBL4223292 |
single protein format |
CHEMBL1316847 |
OBDepict
CH
3
N
N
N
N
O
N
O
CH
3
N
|
IC50 |
= |
19.0 |
nM |
270.25 |
Cn1nc(-c2ccncc2)nc2c(=O)n(C)c(=O)nc1-2 |
Homo sapiens |
CHEMBL4610601 |
single protein format |
CHEMBL4225013 |
OBDepict
F
O
N
N
N
O
OH
|
IC50 |
= |
24.0 |
nM |
313.29 |
O=C(O)c1ccnc(-n2nccc2OCc2ccc(F)cc2)c1 |
Homo sapiens |
CHEMBL4223292 |
single protein format |
CHEMBL1394266 |
OBDepict
CH
3
N
N
N
N
O
N
O
CH
3
|
IC50 |
= |
29.0 |
nM |
283.29 |
Cn1nc(Cc2ccccc2)nc2c(=O)n(C)c(=O)nc1-2 |
Homo sapiens |
CHEMBL4610601 |
single protein format |
CHEMBL4216044 |
OBDepict
CH
3
N
H
N
H
N
O
OH
|
IC50 |
= |
35.0 |
nM |
387.48 |
CN(c1ccccc1)c1ccc2c(c1)CCC[C@H]2CNc1cnccc1C(=O)O |
Homo sapiens |
CHEMBL4193838 |
single protein format |
CHEMBL4228292 |
OBDepict
CH
3
O
Cl
O
N
N
N
O
OH
|
IC50 |
= |
38.0 |
nM |
359.77 |
COc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 |
Homo sapiens |
CHEMBL4223292 |
single protein format |
CHEMBL4640696 |
OBDepict
CH
3
N
N
N
N
O
N
O
CH
3
S
O
O
NH
2
|
IC50 |
= |
42.0 |
nM |
348.34 |
Cn1nc(-c2ccc(S(N)(=O)=O)cc2)nc2c(=O)n(C)c(=O)nc1-2 |
Homo sapiens |
CHEMBL4610601 |
single protein format |
CHEMBL3775262 |
OBDepict
OH
NH
O
HO
N
O
OH
|
Ki |
= |
43.2 |
nM |
350.33 |
O=C(O)c1ccnc(-c2cc(NC(=O)c3ccc(O)cc3)ccc2O)c1 |
Homo sapiens |
CHEMBL3776533 |
assay format |
CHEMBL4216399 |
OBDepict
OH
O
N
H
N
H
S
|
IC50 |
= |
48.0 |
nM |
390.51 |
O=C(O)c1ccncc1NC[C@@H]1CCCc2cc(Sc3ccccc3)ccc21 |
Homo sapiens |
CHEMBL4193838 |
single protein format |
CHEMBL3785832 |
OBDepict
Cl
O
N
N
N
O
OH
|
IC50 |
= |
54.0 |
nM |
329.74 |
O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)cc2)c1 |
Homo sapiens |
CHEMBL4223292 |
single protein format |
CHEMBL3775262 |
OBDepict
OH
NH
O
HO
N
O
OH
|
IC50 |
= |
64.0 |
nM |
350.33 |
O=C(O)c1ccnc(-c2cc(NC(=O)c3ccc(O)cc3)ccc2O)c1 |
Homo sapiens |
CHEMBL3776325 |
assay format |
CHEMBL3775867 |
OBDepict
CH
3
O
N
N
H
O
HO
N
O
OH
|
IC50 |
= |
65.0 |
nM |
339.31 |
Cc1cc(C(=O)Nc2ccc(O)c(-c3cc(C(=O)O)ccn3)c2)no1 |
Homo sapiens |
CHEMBL3776325 |
assay format |
CHEMBL4228610 |
OBDepict
CH
3
O
O
N
N
N
O
HO
|
IC50 |
= |
68.0 |
nM |
325.32 |
COc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1 |
Homo sapiens |
CHEMBL4223292 |
single protein format |
CHEMBL3775563 |
OBDepict
CH
3
O
N
H
O
HO
N
O
OH
|
IC50 |
= |
69.0 |
nM |
378.38 |
COc1ccc(CC(=O)Nc2ccc(O)c(-c3cc(C(=O)O)ccn3)c2)cc1 |
Homo sapiens |
CHEMBL3776325 |
assay format |
CHEMBL3108958 |
OBDepict
OH
O
F
F
F
O
N
H
N
N
H
O
OH
H
H
2
N
|
IC50 |
= |
70.0 |
nM |
488.42 |
N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccnc(-c3cc(C(=O)O)ccn3)c2)cc1.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL3110468 |
single protein format |
CHEMBL4227526 |
OBDepict
Cl
O
O
N
N
N
O
HO
|
IC50 |
= |
74.0 |
nM |
435.87 |
O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)cc2OCc2ccccc2)c1 |
Homo sapiens |
CHEMBL4223292 |
single protein format |
CHEMBL4229264 |
OBDepict
H
3
C
O
Cl
O
N
N
N
O
OH
|
IC50 |
= |
78.0 |
nM |
373.8 |
CCOc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 |
Homo sapiens |
CHEMBL4223292 |
single protein format |
CHEMBL1438218 |
OBDepict
F
N
N
N
CH
3
N
O
N
H
3
C
O
|
IC50 |
= |
81.0 |
nM |
287.25 |
Cn1nc(-c2ccc(F)cc2)nc2c(=O)n(C)c(=O)nc1-2 |
Homo sapiens |
CHEMBL4610601 |
single protein format |
CHEMBL4294604 |
OBDepict
F
N
H
N
N
N
O
HO
|
IC50 |
<= |
100.0 |
nM |
340.36 |
O=C(O)c1ccnc(-c2cn(CCNCc3ccc(F)cc3)cn2)c1 |
Homo sapiens |
CHEMBL4257283 |
cell-based format |
CHEMBL4279262 |
OBDepict
OH
O
N
N
N
N
H
F
F
F
|
IC50 |
<= |
100.0 |
nM |
390.37 |
O=C(O)c1ccnc(-c2cn(CCNCc3ccccc3C(F)(F)F)cn2)c1 |
Homo sapiens |
CHEMBL4257283 |
cell-based format |
CHEMBL4290538 |
OBDepict
OH
O
N
N
N
N
|
IC50 |
<= |
100.0 |
nM |
334.38 |
O=C(O)c1ccnc(-c2cn(CCN3Cc4ccccc4C3)cn2)c1 |
Homo sapiens |
CHEMBL4257283 |
cell-based format |
CHEMBL4294219 |
OBDepict
CH
3
O
N
H
N
N
N
O
OH
|
IC50 |
<= |
100.0 |
nM |
352.39 |
COc1ccccc1CNCCn1cnc(-c2cc(C(=O)O)ccn2)c1 |
Homo sapiens |
CHEMBL4257283 |
cell-based format |
CHEMBL4289125 |
OBDepict
Cl
N
H
N
N
N
O
HO
|
IC50 |
<= |
100.0 |
nM |
356.81 |
O=C(O)c1ccnc(-c2cn(CCNCc3ccccc3Cl)cn2)c1 |
Homo sapiens |
CHEMBL4257283 |
cell-based format |
CHEMBL4290163 |
OBDepict
F
N
N
N
N
O
HO
|
IC50 |
<= |
100.0 |
nM |
352.37 |
O=C(O)c1ccnc(-c2cn(CCN3Cc4ccc(F)cc4C3)cn2)c1 |
Homo sapiens |
CHEMBL4257283 |
cell-based format |
CHEMBL4283135 |
OBDepict
CH
3
N
H
N
N
N
O
OH
|
IC50 |
<= |
100.0 |
nM |
350.42 |
CCc1ccccc1CNCCn1cnc(-c2cc(C(=O)O)ccn2)c1 |
Homo sapiens |
CHEMBL4257283 |
cell-based format |
CHEMBL4284405 |
OBDepict
HO
O
N
N
N
N
Cl
|
IC50 |
<= |
100.0 |
nM |
368.82 |
O=C(O)c1ccnc(-c2cn(CCN3Cc4cccc(Cl)c4C3)cn2)c1 |
Homo sapiens |
CHEMBL4257283 |
cell-based format |
CHEMBL4287432 |
OBDepict
Cl
N
N
N
N
O
HO
|
IC50 |
<= |
100.0 |
nM |
368.82 |
O=C(O)c1ccnc(-c2cn(CCN3Cc4ccc(Cl)cc4C3)cn2)c1 |
Homo sapiens |
CHEMBL4257283 |
cell-based format |
CHEMBL4288471 |
OBDepict
N
N
N
N
N
O
OH
|
IC50 |
<= |
100.0 |
nM |
359.39 |
N#Cc1cccc2c1CN(CCn1cnc(-c3cc(C(=O)O)ccn3)c1)C2 |
Homo sapiens |
CHEMBL4257283 |
cell-based format |
CHEMBL4288868 |
OBDepict
HO
O
N
N
N
N
F
F
F
|
IC50 |
<= |
100.0 |
nM |
402.38 |
O=C(O)c1ccnc(-c2cn(CCN3Cc4ccc(C(F)(F)F)cc4C3)cn2)c1 |
Homo sapiens |
CHEMBL4257283 |
cell-based format |
CHEMBL4277869 |
OBDepict
F
N
N
N
O
OH
|
IC50 |
<= |
100.0 |
nM |
311.32 |
O=C(O)c1ccnc(-c2cn(CCc3ccc(F)cc3)cn2)c1 |
Homo sapiens |
CHEMBL4257283 |
cell-based format |
CHEMBL4290321 |
OBDepict
F
N
N
N
O
HO
|
IC50 |
<= |
100.0 |
nM |
311.32 |
O=C(O)c1ccnc(-c2cn(CCc3ccccc3F)cn2)c1 |
Homo sapiens |
CHEMBL4257283 |
cell-based format |
CHEMBL4281684 |
OBDepict
H
3
C
O
N
N
N
O
OH
|
IC50 |
<= |
100.0 |
nM |
323.35 |
COc1ccc(CCn2cnc(-c3cc(C(=O)O)ccn3)c2)cc1 |
Homo sapiens |
CHEMBL4257283 |
cell-based format |
CHEMBL4287989 |
OBDepict
CH
3
N
N
N
N
O
OH
|
IC50 |
<= |
100.0 |
nM |
300.36 |
CN1CCC(Cn2cnc(-c3cc(C(=O)O)ccn3)c2)CC1 |
Homo sapiens |
CHEMBL4257283 |
cell-based format |
CHEMBL3787669 |
OBDepict
CH
3
N
O
HN
N
CH
3
CH
3
N
O
OH
|
IC50 |
< |
100.0 |
nM |
308.38 |
CCN(CCN(C)C)C(=O)CNCc1cc(C(=O)O)ccn1 |
Homo sapiens |
CHEMBL3789211 |
assay format |
CHEMBL4291702 |
OBDepict
CH
3
N
N
N
N
O
OH
|
IC50 |
<= |
100.0 |
nM |
286.34 |
CN1CCC(n2cnc(-c3cc(C(=O)O)ccn3)c2)CC1 |
Homo sapiens |
CHEMBL4257283 |
cell-based format |
CHEMBL4294777 |
OBDepict
OH
O
N
N
N
N
|
IC50 |
<= |
100.0 |
nM |
286.34 |
O=C(O)c1ccnc(-c2cn(CCN3CCCC3)cn2)c1 |
Homo sapiens |
CHEMBL4257283 |
cell-based format |
CHEMBL3774859 |
OBDepict
OH
O
N
H
N
S
|
IC50 |
<= |
100.0 |
nM |
234.28 |
O=C(O)c1ccncc1NCc1cccs1 |
Homo sapiens |
CHEMBL3778164 |
single protein format |
CHEMBL3774552 |
OBDepict
OH
O
N
H
N
S
|
IC50 |
<= |
100.0 |
nM |
234.28 |
O=C(O)c1ccncc1NCc1ccsc1 |
Homo sapiens |
CHEMBL3778164 |
single protein format |
CHEMBL3775237 |
OBDepict
OH
O
N
H
N
O
|
IC50 |
<= |
100.0 |
nM |
218.21 |
O=C(O)c1ccncc1NCc1ccco1 |
Homo sapiens |
CHEMBL3778164 |
single protein format |
CHEMBL3775834 |
OBDepict
CH
3
S
N
H
N
O
HO
|
IC50 |
<= |
100.0 |
nM |
248.31 |
Cc1csc(CNc2cnccc2C(=O)O)c1 |
Homo sapiens |
CHEMBL3778164 |
single protein format |
CHEMBL3775889 |
OBDepict
OH
O
N
H
N
S
H
3
C
|
IC50 |
<= |
100.0 |
nM |
248.31 |
Cc1ccsc1CNc1cnccc1C(=O)O |
Homo sapiens |
CHEMBL3778164 |
single protein format |
CHEMBL4228781 |
OBDepict
F
O
N
N
N
O
HO
|
IC50 |
<= |
100.0 |
nM |
313.29 |
O=C(O)c1ccnc(-n2nccc2OCc2cccc(F)c2)c1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4287466 |
OBDepict
CH
3
O
O
N
N
N
O
OH
|
IC50 |
<= |
100.0 |
nM |
325.32 |
COc1cccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4286418 |
OBDepict
H
3
C
N
N
N
N
N
O
OH
|
IC50 |
= |
100.0 |
nM |
345.36 |
Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(-n2cccn2)cc1 |
Homo sapiens |
CHEMBL4257283 |
cell-based format |
CHEMBL4226978 |
OBDepict
Br
O
N
N
N
O
OH
|
IC50 |
<= |
100.0 |
nM |
374.19 |
O=C(O)c1ccnc(-n2nccc2OCc2ccc(Br)cc2)c1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4283131 |
OBDepict
Cl
O
N
N
N
O
HO
|
IC50 |
<= |
100.0 |
nM |
329.74 |
O=C(O)c1ccnc(-n2nccc2OCc2cccc(Cl)c2)c1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4227508 |
OBDepict
F
O
N
N
N
O
HO
|
IC50 |
<= |
100.0 |
nM |
313.29 |
O=C(O)c1ccnc(-n2nccc2OCc2ccccc2F)c1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4280354 |
OBDepict
OH
O
N
N
N
O
N
|
IC50 |
<= |
100.0 |
nM |
296.29 |
O=C(O)c1ccnc(-n2nccc2OCc2ccncc2)c1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4288895 |
OBDepict
Br
O
N
N
N
O
HO
|
IC50 |
<= |
100.0 |
nM |
374.19 |
O=C(O)c1ccnc(-n2nccc2OCc2cccc(Br)c2)c1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4289938 |
OBDepict
HO
O
N
N
N
O
HO
|
IC50 |
<= |
100.0 |
nM |
311.3 |
O=C(O)c1ccnc(-n2nccc2OCc2cccc(O)c2)c1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4280347 |
OBDepict
OH
O
N
N
N
O
F
Cl
|
IC50 |
<= |
100.0 |
nM |
347.73 |
O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)c(F)c2)c1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4228546 |
OBDepict
Cl
F
O
N
N
N
O
OH
|
IC50 |
<= |
100.0 |
nM |
347.73 |
O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)cc2F)c1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4284429 |
OBDepict
OH
O
N
N
N
O
Cl
F
|
IC50 |
<= |
100.0 |
nM |
347.73 |
O=C(O)c1ccnc(-n2nccc2OCc2ccc(F)c(Cl)c2)c1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4292379 |
OBDepict
OH
O
N
N
N
O
F
F
|
IC50 |
<= |
100.0 |
nM |
309.27 |
O=C(O)c1ccnc(-n2nccc2OCC2CC(F)(F)C2)c1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4286133 |
OBDepict
HO
O
N
N
N
O
Cl
H
3
C
|
IC50 |
<= |
100.0 |
nM |
343.77 |
Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1Cl |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4287180 |
OBDepict
HO
O
N
N
N
O
F
H
3
C
|
IC50 |
<= |
100.0 |
nM |
327.32 |
Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1F |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4282102 |
OBDepict
OH
O
N
N
N
O
F
F
CH
3
|
IC50 |
<= |
100.0 |
nM |
345.31 |
Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(F)c1F |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4287492 |
OBDepict
N
O
N
N
N
O
OH
|
IC50 |
<= |
100.0 |
nM |
320.31 |
N#Cc1cccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4287204 |
OBDepict
CH
3
N
N
N
F
N
O
HO
|
IC50 |
<= |
100.0 |
nM |
354.39 |
CN(CCc1cnn(-c2cc(C(=O)O)ccn2)c1)Cc1ccc(F)cc1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4286161 |
OBDepict
N
NH
O
N
N
N
N
CH
3
F
|
IC50 |
<= |
100.0 |
nM |
378.41 |
CN(CCc1cnn(-c2cc(C(=O)NC#N)ccn2)c1)Cc1ccc(F)cc1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4293019 |
OBDepict
CH
3
N
N
N
F
N
O
HO
|
IC50 |
<= |
100.0 |
nM |
354.39 |
CN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)Cc1ccc(F)cc1 |
Homo sapiens |
CHEMBL4257283 |
cell-based format |
CHEMBL4288910 |
OBDepict
H
3
C
N
CH
3
N
N
N
F
Cl
O
OH
|
IC50 |
<= |
100.0 |
nM |
388.83 |
CN(C)CCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(Cl)c(F)c1 |
Homo sapiens |
CHEMBL4257283 |
cell-based format |
CHEMBL4278927 |
OBDepict
CH
3
N
H
3
C
N
N
N
O
OH
|
IC50 |
<= |
100.0 |
nM |
260.3 |
CN(C)CCn1cnc(-c2cc(C(=O)O)ccn2)c1 |
Homo sapiens |
CHEMBL4257283 |
cell-based format |
CHEMBL4283132 |
OBDepict
H
3
C
N
N
N
O
OH
|
IC50 |
<= |
100.0 |
nM |
231.25 |
CCCn1cnc(-c2cc(C(=O)O)ccn2)c1 |
Homo sapiens |
CHEMBL4257283 |
cell-based format |
CHEMBL4282735 |
OBDepict
CH
3
N
H
3
C
N
N
N
O
OH
|
IC50 |
<= |
100.0 |
nM |
274.32 |
CN(C)CCCn1cnc(-c2cc(C(=O)O)ccn2)c1 |
Homo sapiens |
CHEMBL4257283 |
cell-based format |
CHEMBL4279284 |
OBDepict
CH
3
N
H
3
C
O
N
N
N
O
OH
|
IC50 |
<= |
100.0 |
nM |
304.35 |
CN(C)CCOCCn1cnc(-c2cc(C(=O)O)ccn2)c1 |
Homo sapiens |
CHEMBL4257283 |
cell-based format |
CHEMBL4278863 |
OBDepict
HO
O
N
N
Br
N
CH
3
|
IC50 |
= |
100.0 |
nM |
282.1 |
Cn1cnc(-c2cc(C(=O)O)ccn2)c1Br |
Homo sapiens |
CHEMBL4257283 |
cell-based format |
CHEMBL4285323 |
OBDepict
OH
O
N
N
N
CH
3
|
IC50 |
<= |
100.0 |
nM |
293.33 |
CC(c1ccccc1)n1cnc(-c2cc(C(=O)O)ccn2)c1 |
Homo sapiens |
CHEMBL4257283 |
cell-based format |
CHEMBL4288884 |
OBDepict
CH
3
O
H
3
C
O
N
N
N
O
OH
|
IC50 |
= |
100.0 |
nM |
339.35 |
COc1cc(C)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4282868 |
OBDepict
H
3
C
F
O
N
N
N
O
HO
|
IC50 |
= |
100.0 |
nM |
327.31 |
Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(F)c1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4289921 |
OBDepict
H
3
C
CH
3
O
N
N
N
O
HO
|
IC50 |
= |
100.0 |
nM |
323.35 |
Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(C)c1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4278583 |
OBDepict
N
CH
3
O
N
N
N
O
HO
|
IC50 |
= |
100.0 |
nM |
334.34 |
Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(C#N)c1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4289000 |
OBDepict
F
O
Cl
O
N
N
N
O
HO
|
IC50 |
= |
100.0 |
nM |
453.86 |
O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)c(OCc3ccc(F)cc3)c2)c1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4292686 |
OBDepict
F
O
F
O
N
N
N
O
HO
|
IC50 |
= |
100.0 |
nM |
437.4 |
O=C(O)c1ccnc(-n2nccc2OCc2ccc(F)c(OCc3ccc(F)cc3)c2)c1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4287561 |
OBDepict
HO
O
N
N
N
O
O
Cl
|
IC50 |
= |
100.0 |
nM |
399.83 |
O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)c(OCC3CC3)c2)c1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4284664 |
OBDepict
Cl
Cl
O
N
N
N
O
OH
|
IC50 |
= |
100.0 |
nM |
364.19 |
O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)cc2Cl)c1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4278739 |
OBDepict
CH
3
F
O
N
N
N
O
OH
|
IC50 |
= |
100.0 |
nM |
341.34 |
CCc1cc(F)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4288613 |
OBDepict
OH
O
N
N
N
O
O
Cl
F
F
F
|
IC50 |
= |
100.0 |
nM |
427.77 |
O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)c(OCC(F)(F)F)c2)c1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4282610 |
OBDepict
CH
3
O
Br
O
N
N
N
O
OH
|
IC50 |
= |
100.0 |
nM |
404.22 |
COc1cc(Br)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4289769 |
OBDepict
I
CH
3
O
N
N
N
O
OH
|
IC50 |
= |
100.0 |
nM |
435.22 |
Cc1cc(I)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4290799 |
OBDepict
CH
3
O
I
O
N
N
N
O
OH
|
IC50 |
= |
100.0 |
nM |
451.22 |
COc1cc(I)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4224779 |
OBDepict
HO
O
N
N
N
O
|
IC50 |
= |
100.0 |
nM |
335.36 |
O=C(O)c1ccnc(-n2nccc2OCc2ccc(C3CC3)cc2)c1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4277625 |
OBDepict
OH
O
N
N
N
O
Cl
F
F
F
|
IC50 |
= |
100.0 |
nM |
397.74 |
O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)c(C(F)(F)F)c2)c1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4283150 |
OBDepict
CH
3
Cl
O
N
N
N
O
HO
|
IC50 |
= |
100.0 |
nM |
357.8 |
CCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1Cl |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4228321 |
OBDepict
OH
O
N
N
N
OH
CH
3
|
IC50 |
= |
100.0 |
nM |
295.3 |
Cc1ccc(-c2ccnn2-c2cc(C(=O)O)ccn2)cc1O |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4281578 |
OBDepict
Br
CH
3
O
N
N
N
O
OH
|
IC50 |
= |
100.0 |
nM |
388.22 |
Cc1cc(Br)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4279777 |
OBDepict
F
CH
3
O
N
N
N
O
OH
|
IC50 |
= |
100.0 |
nM |
327.31 |
Cc1cc(F)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4280874 |
OBDepict
OH
O
N
N
N
CH
3
|
IC50 |
= |
100.0 |
nM |
203.2 |
Cc1ccnn1-c1cc(C(=O)O)ccn1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4287035 |
OBDepict
N
CH
3
O
N
N
N
O
OH
|
IC50 |
= |
100.0 |
nM |
348.36 |
CCc1cc(C#N)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |
CHEMBL4282732 |
OBDepict
OH
O
N
N
N
O
F
F
|
IC50 |
= |
100.0 |
nM |
337.33 |
O=C(O)c1ccnc(-n2nccc2OCC2CCC(F)(F)CC2)c1 |
Homo sapiens |
CHEMBL4256951 |
cell-based format |