molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3953067 |
|
IC50 |
= |
3.1 |
nM |
260.3 |
CC(C)COc1ncnc2[nH]cc(/C=C/C(N)=O)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3916326 |
OBDepict
H
3
C
O
CH
3
N
N
N
H
O
H
2
N
|
IC50 |
= |
4.3 |
nM |
260.3 |
CCC(C)Oc1ncnc2[nH]cc(/C=C/C(N)=O)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3924740 |
OBDepict
CH
3
O
CH
3
N
N
N
H
O
H
2
N
|
IC50 |
= |
4.4 |
nM |
246.27 |
CC(C)Oc1ncnc2[nH]cc(/C=C/C(N)=O)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3919781 |
OBDepict
H
2
N
O
N
H
N
O
N
CH
3
H
3
C
CH
3
|
IC50 |
= |
5.2 |
nM |
274.32 |
CC(C)(C)COc1ncnc2[nH]cc(/C=C/C(N)=O)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3917140 |
OBDepict
CH
3
H
3
C
O
N
N
N
H
O
H
2
N
|
IC50 |
= |
7.0 |
nM |
258.28 |
CC(C)COc1ncnc2[nH]cc(C#CC(N)=O)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3898170 |
OBDepict
H
2
N
O
N
H
N
O
N
CH
3
CH
3
CH
3
|
IC50 |
= |
13.0 |
nM |
260.3 |
CC(C)(C)Oc1ncnc2[nH]cc(/C=C/C(N)=O)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3912681 |
OBDepict
NH
2
O
N
H
O
N
N
F
F
|
IC50 |
= |
16.0 |
nM |
322.32 |
NC(=O)/C=C/c1c[nH]c2ncnc(OC3CCC(F)(F)CC3)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3905384 |
OBDepict
CH
3
O
N
N
N
H
O
H
2
N
|
IC50 |
= |
19.0 |
nM |
246.27 |
CCCOc1ncnc2[nH]cc(/C=C/C(N)=O)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3901893 |
OBDepict
NH
2
O
N
H
N
O
N
F
F
F
|
IC50 |
= |
33.0 |
nM |
286.21 |
NC(=O)/C=C/c1c[nH]c2ncnc(OCC(F)(F)F)c12 |
Homo sapiens |
CHEMBL3889256 |
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 |
= |
35.0 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL973464 |
single protein format |
CHEMBL3918925 |
OBDepict
CH
3
N
H
O
N
H
O
N
N
H
3
C
H
3
C
|
IC50 |
= |
41.0 |
nM |
274.32 |
CNC(=O)/C=C/c1c[nH]c2ncnc(OCC(C)C)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3969384 |
OBDepict
NH
2
O
N
H
N
O
N
F
|
IC50 |
= |
51.0 |
nM |
312.3 |
NC(=O)/C=C/c1c[nH]c2ncnc(OCc3cccc(F)c3)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3895287 |
OBDepict
H
2
N
O
N
H
N
O
N
OH
CH
3
H
3
C
|
IC50 |
= |
75.0 |
nM |
276.3 |
CC(C)(O)COc1ncnc2[nH]cc(/C=C/C(N)=O)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3919897 |
OBDepict
CH
3
H
3
C
O
N
N
N
H
N
O
CH
3
H
3
C
|
IC50 |
= |
97.0 |
nM |
288.35 |
CC(C)COc1ncnc2[nH]cc(/C=C/C(=O)N(C)C)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3963009 |
OBDepict
H
3
C
CH
3
O
N
N
N
H
O
H
3
C
|
IC50 |
= |
100.0 |
nM |
259.31 |
CC(=O)/C=C/c1c[nH]c2ncnc(OCC(C)C)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3894718 |
OBDepict
N
N
H
O
N
N
H
3
C
CH
3
|
IC50 |
= |
170.0 |
nM |
242.28 |
CC(C)COc1ncnc2[nH]cc(/C=CC#N)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3902720 |
OBDepict
NH
2
O
N
H
N
O
N
|
IC50 |
= |
170.0 |
nM |
280.29 |
NC(=O)/C=C/c1c[nH]c2ncnc(Oc3ccccc3)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3934288 |
OBDepict
CH
3
H
3
C
O
N
N
N
H
N
H
O
|
IC50 |
= |
180.0 |
nM |
300.36 |
CC(C)COc1ncnc2[nH]cc(/C=C/C(=O)NC3CC3)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3922526 |
OBDepict
CH
3
O
O
N
H
O
N
N
H
3
C
H
3
C
|
IC50 |
= |
200.0 |
nM |
275.31 |
COC(=O)/C=C/c1c[nH]c2ncnc(OCC(C)C)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3893882 |
OBDepict
CH
3
O
N
H
O
N
N
H
3
C
H
3
C
|
IC50 |
= |
200.0 |
nM |
273.34 |
CCC(=O)/C=C/c1c[nH]c2ncnc(OCC(C)C)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3897406 |
OBDepict
N
N
H
O
N
N
H
3
C
CH
3
|
IC50 |
= |
210.0 |
nM |
242.28 |
CC(C)COc1ncnc2[nH]cc(/C=C/C#N)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3905341 |
OBDepict
Cl
O
N
H
O
N
N
H
3
C
CH
3
|
IC50 |
= |
280.0 |
nM |
267.72 |
CC(C)COc1ncnc2[nH]cc(C(=O)CCl)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3909192 |
OBDepict
N
N
H
O
N
N
|
IC50 |
= |
330.0 |
nM |
276.3 |
N#C/C=C/c1c[nH]c2ncnc(OCc3ccccc3)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3919844 |
OBDepict
CH
3
N
H
O
N
H
O
N
N
CH
3
H
3
C
|
IC50 |
= |
340.0 |
nM |
288.35 |
CCNC(=O)/C=C/c1c[nH]c2ncnc(OCC(C)C)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3975493 |
OBDepict
H
3
C
CH
3
O
N
N
N
H
O
OH
|
IC50 |
= |
340.0 |
nM |
261.28 |
CC(C)COc1ncnc2[nH]cc(/C=C/C(=O)O)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3895447 |
OBDepict
CH
3
O
O
N
H
N
O
N
|
IC50 |
= |
350.0 |
nM |
309.32 |
COC(=O)/C=C/c1c[nH]c2ncnc(OCc3ccccc3)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3973552 |
OBDepict
CH
3
H
3
C
O
N
N
N
H
Cl
O
H
2
N
|
IC50 |
= |
360.0 |
nM |
294.74 |
CC(C)COc1ncnc2[nH]cc(/C=C(Cl)C(N)=O)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3929132 |
OBDepict
CH
3
H
3
C
O
N
N
N
H
N
H
O
|
IC50 |
= |
380.0 |
nM |
314.39 |
CC(C)COc1ncnc2[nH]cc(/C=C/C(=O)NCC3CC3)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3912629 |
OBDepict
H
3
C
CH
3
O
N
N
N
H
O
NH
2
|
IC50 |
= |
420.0 |
nM |
274.32 |
CC(C)COc1ncnc2[nH]cc(C/C=C/C(N)=O)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3925269 |
OBDepict
CH
3
O
O
H
3
C
N
H
O
N
N
CH
3
H
3
C
|
IC50 |
= |
430.0 |
nM |
289.34 |
COC(=O)/C(C)=C/c1c[nH]c2ncnc(OCC(C)C)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3901362 |
OBDepict
H
3
C
CH
3
O
N
N
N
N
H
|
IC50 |
= |
560.0 |
nM |
216.24 |
CC(C)COc1ncnc2[nH]cc(C#N)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3891089 |
OBDepict
NH
2
O
N
H
O
N
N
|
IC50 |
= |
730.0 |
nM |
294.31 |
NC(=O)/C=C/c1c[nH]c2ncnc(OCc3ccccc3)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3907201 |
OBDepict
N
H
2
C
N
H
O
N
N
CH
3
H
3
C
|
IC50 |
= |
750.0 |
nM |
242.28 |
C=C(C#N)c1c[nH]c2ncnc(OCC(C)C)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |
CHEMBL3897133 |
OBDepict
CH
3
H
3
C
O
N
N
N
H
F
O
H
2
N
|
IC50 |
= |
860.0 |
nM |
278.29 |
CC(C)COc1ncnc2[nH]cc(/C=C(F)C(N)=O)c12 |
Homo sapiens |
CHEMBL3889256 |
single protein format |