molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4855542 |
|
IC50 |
= |
-1800.0 |
nM |
372.45 |
Nc1ncc(-c2cccc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804438 |
cell-based format |
CHEMBL288441 |
OBDepict
CH
3
O
O
N
N
H
N
N
Cl
O
H
3
C
Cl
N
CH
3
|
IC50 |
= |
3.9 |
nM |
530.46 |
COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl |
Homo sapiens |
CHEMBL1244333 |
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 |
= |
4.32 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328515 |
single protein format |
CHEMBL4860979 |
OBDepict
F
S
N
O
O
CH
3
N
H
2
N
O
N
H
|
IC50 |
= |
40.0 |
nM |
466.54 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c(F)c1 |
Homo sapiens |
CHEMBL4804309 |
single protein format |
CHEMBL4855730 |
OBDepict
F
NH
S
N
O
O
H
2
N
O
HN
|
IC50 |
= |
40.0 |
nM |
452.51 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804309 |
single protein format |
CHEMBL4865313 |
OBDepict
H
3
C
O
S
N
O
O
CH
3
N
H
2
N
O
N
H
|
IC50 |
= |
40.0 |
nM |
478.57 |
COc1cc(S(=O)(=O)N(C)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 |
Homo sapiens |
CHEMBL4804309 |
single protein format |
CHEMBL3770443 |
OBDepict
CH
3
HN
N
N
N
O
H
O
O
Cl
H
H
2
N
N
CH
3
|
IC50 |
= |
43.0 |
nM |
492.97 |
CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |
Homo sapiens |
CHEMBL3772528 |
single protein format |
CHEMBL4860789 |
OBDepict
NH
2
N
S
O
NH
N
H
O
O
|
IC50 |
= |
200.0 |
nM |
434.52 |
Nc1ncc(-c2cccc(S(=O)(=O)NC3CC3)c2)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804309 |
single protein format |
CHEMBL4867931 |
OBDepict
H
3
C
O
N
H
S
N
O
O
H
2
N
O
HN
|
IC50 |
= |
200.0 |
nM |
464.55 |
COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 |
Homo sapiens |
CHEMBL4804309 |
single protein format |
CHEMBL4879343 |
OBDepict
N
N
H
2
N
O
HN
|
IC50 |
= |
200.0 |
nM |
340.39 |
N#Cc1cccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c1 |
Homo sapiens |
CHEMBL4804309 |
single protein format |