molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL370038 |
|
Ki |
= |
2.7 |
nM |
254.21 |
Cn1nnc(-c2onc(O)c2C[C@H](N)C(=O)O)n1 |
Homo sapiens |
CHEMBL829621 |
cell-based format |
CHEMBL331696 |
OBDepict
HO
O
NH
2
H
N
N
O
N
Cl
H
O
|
Ki |
= |
3.6 |
nM |
234.6 |
N[C@@H](Cn1nc(Cl)c(=O)[nH]c1=O)C(=O)O |
Homo sapiens |
CHEMBL878454 |
cell-based format |
CHEMBL331644 |
OBDepict
HO
O
NH
2
H
N
N
O
N
Br
H
O
|
Ki |
= |
7.9 |
nM |
279.05 |
N[C@@H](Cn1nc(Br)c(=O)[nH]c1=O)C(=O)O |
Homo sapiens |
CHEMBL878454 |
cell-based format |
CHEMBL121553 |
OBDepict
HO
O
NH
2
H
N
N
O
N
I
H
O
|
Ki |
= |
19.9 |
nM |
326.05 |
N[C@@H](Cn1nc(I)c(=O)[nH]c1=O)C(=O)O |
Homo sapiens |
CHEMBL878454 |
cell-based format |
CHEMBL13378 |
OBDepict
OH
O
H
2
N
CH
3
O
HO
N
|
Ki |
= |
40.0 |
nM |
186.17 |
Cc1onc(O)c1CC(N)C(=O)O |
Homo sapiens |
CHEMBL696664 |
cell-based format |
CHEMBL370941 |
OBDepict
CH
3
N
N
N
N
O
N
HO
H
2
N
O
HO
|
Ki |
= |
44.4 |
nM |
268.23 |
CCn1nnc(-c2onc(O)c2CC(N)C(=O)O)n1 |
Homo sapiens |
CHEMBL829621 |
cell-based format |
CHEMBL120808 |
OBDepict
OH
O
H
2
N
H
N
N
O
N
CH
3
H
O
|
Ki |
= |
89.0 |
nM |
214.18 |
Cc1nn(C[C@H](N)C(=O)O)c(=O)[nH]c1=O |
Homo sapiens |
CHEMBL878454 |
cell-based format |
CHEMBL276815 |
OBDepict
OH
O
H
2
N
H
CH
3
O
HO
N
|
Ki |
= |
155.0 |
nM |
186.17 |
Cc1onc(O)c1C[C@H](N)C(=O)O |
Homo sapiens |
CHEMBL878454 |
cell-based format |
CHEMBL429594 |
OBDepict
HO
O
NH
2
H
N
S
HO
N
|
Ki |
= |
182.0 |
nM |
189.2 |
N[C@@H](Cc1nsnc1O)C(=O)O |
Homo sapiens |
CHEMBL934445 |
cell-based format |
CHEMBL122656 |
OBDepict
OH
O
H
2
N
H
N
N
O
N
H
O
|
Ki |
= |
189.0 |
nM |
200.15 |
N[C@@H](Cn1ncc(=O)[nH]c1=O)C(=O)O |
Homo sapiens |
CHEMBL878454 |
cell-based format |
CHEMBL121191 |
OBDepict
OH
O
H
2
N
H
N
O
N
+
N
H
O
_
O
O
|
Ki |
= |
207.0 |
nM |
244.16 |
N[C@@H](Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O)C(=O)O |
Homo sapiens |
CHEMBL878454 |
cell-based format |
CHEMBL123132 |
OBDepict
HO
O
NH
2
H
N
O
N
F
H
O
|
Ki |
= |
305.0 |
nM |
217.16 |
N[C@@H](Cn1cc(F)c(=O)[nH]c1=O)C(=O)O |
Homo sapiens |
CHEMBL878454 |
cell-based format |
CHEMBL121388 |
OBDepict
HO
O
NH
2
H
N
O
N
Cl
H
O
|
Ki |
= |
451.0 |
nM |
233.61 |
N[C@@H](Cn1cc(Cl)c(=O)[nH]c1=O)C(=O)O |
Homo sapiens |
CHEMBL878454 |
cell-based format |
CHEMBL333964 |
OBDepict
HO
O
NH
2
H
N
O
N
Br
H
O
|
Ki |
= |
457.0 |
nM |
278.06 |
N[C@@H](Cn1cc(Br)c(=O)[nH]c1=O)C(=O)O |
Homo sapiens |
CHEMBL878454 |
cell-based format |
CHEMBL51660 |
OBDepict
H
H
2
N
O
OH
O
HO
|
Ki |
= |
533.0 |
nM |
213.23 |
N[C@@H](CC(C(=O)O)=C1CCCC1)C(=O)O |
Homo sapiens |
CHEMBL696661 |
cell-based format |
CHEMBL222519 |
OBDepict
_
O
+
N
O
N
S
N
O
O
NH
2
HO
HO
|
Ki |
= |
600.0 |
nM |
336.29 |
NS(=O)(=O)c1cccc2c1c([N+](=O)[O-])cc1nc(O)c(O)nc12 |
Homo sapiens |
CHEMBL874140 |
single protein format |
CHEMBL372643 |
OBDepict
CH
3
N
N
N
N
O
N
HO
H
2
N
O
HO
|
Ki |
= |
732.0 |
nM |
282.26 |
CCCn1nnc(-c2onc(O)c2CC(N)C(=O)O)n1 |
Homo sapiens |
CHEMBL829621 |
cell-based format |
CHEMBL575060 |
OBDepict
OH
O
NH
2
H
O
OH
|
Ki |
= |
868.0 |
nM |
147.13 |
N[C@@H](CCC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL696662 |
cell-based format |
CHEMBL121915 |
OBDepict
HO
O
NH
2
H
N
O
N
I
H
O
|
Ki |
= |
972.0 |
nM |
325.06 |
N[C@@H](Cn1cc(I)c(=O)[nH]c1=O)C(=O)O |
Homo sapiens |
CHEMBL878454 |
cell-based format |