molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4867931 |
|
IC50 |
= |
-68100.0 |
nM |
464.55 |
COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 |
Homo sapiens |
CHEMBL4804439 |
cell-based format |
CHEMBL4855542 |
OBDepict
NH
2
N
S
N
O
NH
|
IC50 |
= |
-17300.0 |
nM |
372.45 |
Nc1ncc(-c2cccc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804439 |
cell-based format |
CHEMBL388978 |
OBDepict
CH
3
HN
H
H
O
H
O
N
H
3
C
H
3
C
N
O
N
H
|
IC50 |
= |
2.87 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328516 |
single protein format |
CHEMBL4568087 |
OBDepict
H
3
C
N
N
N
N
N
S
N
H
O
H
H
H
2
N
|
IC50 |
= |
6.3 |
nM |
421.53 |
Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCCC[C@@H]5N)c4)cnn3c2)cn1 |
Homo sapiens |
CHEMBL4479753 |
assay format |
CHEMBL3770443 |
OBDepict
CH
3
HN
N
N
N
O
H
O
O
Cl
H
H
2
N
N
CH
3
|
IC50 |
= |
20.0 |
nM |
492.97 |
CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |
Homo sapiens |
CHEMBL3772529 |
single protein format |
CHEMBL4552628 |
OBDepict
Cl
N
N
N
H
3
C
S
N
H
O
H
H
H
2
N
F
F
|
IC50 |
= |
170.0 |
nM |
425.89 |
Cc1sc(C(=O)N[C@@H]2[C@H](N)CCCC2(F)F)cc1-c1cnn2cc(Cl)cnc12 |
Homo sapiens |
CHEMBL4479753 |
assay format |
CHEMBL3393348 |
OBDepict
N
N
H
N
N
N
O
|
IC50 |
= |
178.0 |
nM |
305.34 |
N#Cc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1 |
Homo sapiens |
CHEMBL3395733 |
single protein format |
CHEMBL4550702 |
OBDepict
CH
3
N
N
N
N
N
S
NH
O
F
F
F
|
IC50 |
= |
290.0 |
nM |
406.39 |
Cn1cc(-c2cnc3c(-c4csc(C(=O)NCC(F)(F)F)c4)cnn3c2)cn1 |
Homo sapiens |
CHEMBL4479753 |
assay format |
CHEMBL1258913 |
OBDepict
O
N
H
N
N
S
N
H
N
H
O
O
H
N
|
IC50 |
= |
412.0 |
nM |
544.68 |
O=C(Nc1n[nH]c2cc(C(=O)N[C@H](CN3CCCC3)c3ccccc3)sc12)c1ccc(N2CCOCC2)cc1 |
Homo sapiens |
CHEMBL1260170 |
single protein format |