molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3145266 |
|
IC50 |
= |
60.0 |
nM |
296.29 |
Cc1[nH]n(-c2ccccn2)c(=O)c1-c1ccc([N+](=O)[O-])cc1 |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL2079088 |
OBDepict
H
2
N
S
NH
O
S
HN
NH
2
|
IC50 |
= |
140.0 |
nM |
344.47 |
N=C(N)SCc1cccc2c1oc1c(CSC(=N)N)cccc12 |
Homo sapiens |
CHEMBL4700248 |
cell-based format |
CHEMBL1933782 |
OBDepict
CH
3
S
N
N
N
OH
|
IC50 |
= |
150.0 |
nM |
333.42 |
Cc1ccc2nc(-n3nc4c(c3O)-c3ccccc3CC4)sc2c1 |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL3145267 |
OBDepict
H
3
C
N
H
N
O
N
F
F
F
|
IC50 |
= |
150.0 |
nM |
319.29 |
Cc1[nH]n(-c2ccccn2)c(=O)c1-c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL3145276 |
OBDepict
O
N
H
O
N
H
3
C
N
H
N
F
F
F
|
IC50 |
= |
170.0 |
nM |
362.31 |
Cc1[nH]n(-c2ccccn2)c(=O)c1C(=O)Nc1cccc(C(F)(F)F)c1 |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL3145277 |
OBDepict
O
N
H
O
N
H
3
C
N
H
N
+
N
O
_
O
|
IC50 |
= |
200.0 |
nM |
339.31 |
Cc1[nH]n(-c2ccccn2)c(=O)c1C(=O)Nc1ccc([N+](=O)[O-])cc1 |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL1933791 |
OBDepict
H
3
C
O
N
OH
N
N
|
IC50 |
= |
210.0 |
nM |
369.42 |
COc1ccc(-c2ccc3c(c2)CCc2nn(-c4ccccn4)c(O)c2-3)cc1 |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL3145278 |
OBDepict
CH
3
O
F
N
H
O
O
N
CH
3
N
H
N
|
IC50 |
= |
260.0 |
nM |
342.33 |
COc1ccc(NC(=O)c2c(C)[nH]n(-c3ccccn3)c2=O)cc1F |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL1933792 |
OBDepict
HO
N
N
N
|
IC50 |
= |
260.0 |
nM |
339.4 |
Oc1c2c(nn1-c1ccccn1)CCc1cc(-c3ccccc3)ccc1-2 |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL1933793 |
OBDepict
H
3
C
N
OH
N
N
|
IC50 |
= |
270.0 |
nM |
353.43 |
Cc1ccc(-c2ccc3c(c2)CCc2nn(-c4ccccn4)c(O)c2-3)cc1 |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL3145279 |
OBDepict
O
N
H
O
N
H
3
C
N
H
N
F
F
F
|
IC50 |
= |
290.0 |
nM |
362.31 |
Cc1[nH]n(-c2ccccn2)c(=O)c1C(=O)Nc1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL1933794 |
OBDepict
Br
N
HO
N
N
|
IC50 |
= |
310.0 |
nM |
342.2 |
Oc1c2c(nn1-c1ccccn1)CCc1cc(Br)ccc1-2 |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL3145268 |
OBDepict
H
3
C
N
H
N
O
N
F
F
F
|
IC50 |
= |
320.0 |
nM |
319.29 |
Cc1[nH]n(-c2ccccn2)c(=O)c1-c1cccc(C(F)(F)F)c1 |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL1933783 |
OBDepict
CH
3
O
S
N
N
N
OH
|
IC50 |
= |
330.0 |
nM |
349.42 |
COc1ccc2nc(-n3nc4c(c3O)-c3ccccc3CC4)sc2c1 |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL1197758 |
OBDepict
NH
2
S
HN
CH
3
H
3
C
CH
3
S
NH
H
2
N
|
IC50 |
= |
350.0 |
nM |
296.47 |
Cc1cc(C)c(CSC(=N)N)c(C)c1CSC(=N)N |
Homo sapiens |
CHEMBL4700257 |
cell-based format |
CHEMBL3145265 |
OBDepict
N
O
N
H
3
C
N
H
N
|
IC50 |
= |
360.0 |
nM |
276.3 |
Cc1[nH]n(-c2ccccn2)c(=O)c1-c1ccc(C#N)cc1 |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL3145274 |
OBDepict
F
S
N
N
N
H
O
CH
3
|
IC50 |
= |
390.0 |
nM |
325.37 |
Cc1[nH]n(-c2nc3ccc(F)cc3s2)c(=O)c1-c1ccccc1 |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL1933784 |
OBDepict
F
S
N
N
N
OH
|
IC50 |
= |
400.0 |
nM |
337.38 |
Oc1c2c(nn1-c1nc3ccc(F)cc3s1)CCc1ccccc1-2 |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL3145257 |
OBDepict
CH
3
N
H
O
CH
3
N
O
N
H
N
|
IC50 |
= |
410.0 |
nM |
308.34 |
Cc1cccc(NC(=O)c2c(C)[nH]n(-c3ccccn3)c2=O)c1 |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL3145251 |
OBDepict
H
3
C
N
H
N
O
N
S
|
IC50 |
= |
430.0 |
nM |
307.38 |
Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1-c1ccccc1 |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL3145252 |
OBDepict
H
N
N
N
N
O
H
CH
3
|
IC50 |
= |
520.0 |
nM |
290.33 |
Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1-c1ccccc1 |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL1933795 |
OBDepict
N
N
HO
N
N
|
IC50 |
= |
520.0 |
nM |
288.31 |
N#Cc1ccc2c(c1)CCc1nn(-c3ccccn3)c(O)c1-2 |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL1933785 |
OBDepict
OH
O
S
N
N
N
OH
|
IC50 |
= |
560.0 |
nM |
363.4 |
O=C(O)c1ccc2nc(-n3nc4c(c3O)-c3ccccc3CC4)sc2c1 |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL3145246 |
OBDepict
O
N
H
O
N
H
3
C
N
H
N
|
IC50 |
= |
640.0 |
nM |
294.31 |
Cc1[nH]n(-c2ccccn2)c(=O)c1C(=O)Nc1ccccc1 |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL3145258 |
OBDepict
CH
3
O
N
H
O
O
N
CH
3
N
H
N
|
IC50 |
= |
660.0 |
nM |
324.34 |
COc1cccc(NC(=O)c2c(C)[nH]n(-c3ccccn3)c2=O)c1 |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL3145259 |
OBDepict
H
3
C
N
H
O
O
N
H
3
C
N
H
N
|
IC50 |
= |
690.0 |
nM |
308.34 |
Cc1ccc(NC(=O)c2c(C)[nH]n(-c3ccccn3)c2=O)cc1 |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL3145260 |
OBDepict
_
O
+
N
O
N
H
O
O
N
H
3
C
N
H
N
|
IC50 |
= |
710.0 |
nM |
339.31 |
Cc1[nH]n(-c2ccccn2)c(=O)c1C(=O)Nc1ccccc1[N+](=O)[O-] |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL1933786 |
OBDepict
HO
N
N
N
S
|
IC50 |
= |
720.0 |
nM |
319.39 |
Oc1c2c(nn1-c1nc3ccccc3s1)CCc1ccccc1-2 |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL3145269 |
OBDepict
CH
3
O
O
O
N
CH
3
N
H
N
|
IC50 |
= |
770.0 |
nM |
323.35 |
CCOC(=O)c1ccc(-c2c(C)[nH]n(-c3ccccn3)c2=O)cc1 |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL1933787 |
OBDepict
OH
N
N
N
|
IC50 |
= |
830.0 |
nM |
263.3 |
Oc1c2c(nn1-c1ccccn1)CCc1ccccc1-2 |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL3145273 |
OBDepict
F
O
N
H
3
C
N
H
N
|
IC50 |
= |
910.0 |
nM |
269.28 |
Cc1[nH]n(-c2ccccn2)c(=O)c1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL1936903 |
cell-based format |
CHEMBL3145261 |
OBDepict
O
N
H
O
N
H
3
C
N
H
N
F
F
F
|
IC50 |
= |
1000.0 |
nM |
362.31 |
Cc1[nH]n(-c2ccccn2)c(=O)c1C(=O)Nc1ccccc1C(F)(F)F |
Homo sapiens |
CHEMBL1936903 |
cell-based format |