molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4104719 |
|
IC50 |
= |
200.0 |
nM |
588.72 |
O=C(NCc1ccncc1)c1cnc2c(SSc3cccc4cc(C(=O)NCc5ccncc5)cnc34)cccc2c1 |
Homo sapiens |
CHEMBL4049704 |
cell-based format |
CHEMBL4070821 |
OBDepict
O
NH
N
N
S
S
S
N
HN
O
N
S
|
IC50 |
= |
400.0 |
nM |
572.72 |
O=C(Nc1nccs1)c1cnc2c(SSc3cccc4cc(C(=O)Nc5nccs5)cnc34)cccc2c1 |
Homo sapiens |
CHEMBL4049704 |
cell-based format |
CHEMBL4105598 |
OBDepict
O
NH
N
S
S
S
N
HN
O
S
|
IC50 |
= |
800.0 |
nM |
598.8 |
O=C(NCc1cccs1)c1cnc2c(SSc3cccc4cc(C(=O)NCc5cccs5)cnc34)cccc2c1 |
Homo sapiens |
CHEMBL4049704 |
cell-based format |
CHEMBL4095913 |
OBDepict
O
NH
N
O
S
S
N
HN
O
O
|
IC50 |
= |
900.0 |
nM |
566.66 |
O=C(NCc1ccco1)c1cnc2c(SSc3cccc4cc(C(=O)NCc5ccco5)cnc34)cccc2c1 |
Homo sapiens |
CHEMBL4049704 |
cell-based format |
CHEMBL4093473 |
OBDepict
CH
3
O
O
N
S
S
N
O
O
CH
3
|
IC50 |
= |
900.0 |
nM |
436.51 |
COC(=O)c1cnc2c(SSc3cccc4cc(C(=O)OC)cnc34)cccc2c1 |
Homo sapiens |
CHEMBL4049704 |
cell-based format |
CHEMBL4101230 |
OBDepict
CH
3
SH
N
|
IC50 |
= |
900.0 |
nM |
175.26 |
Cc1cc(S)c2ncccc2c1 |
Homo sapiens |
CHEMBL4049704 |
cell-based format |
CHEMBL4078891 |
OBDepict
NH
2
O
N
S
S
N
O
H
2
N
|
IC50 |
= |
1000.0 |
nM |
406.49 |
NC(=O)c1cnc2c(SSc3cccc4cc(C(N)=O)cnc34)cccc2c1 |
Homo sapiens |
CHEMBL4049704 |
cell-based format |
CHEMBL4087722 |
OBDepict
O
HN
N
S
S
S
N
N
H
O
S
|
IC50 |
= |
1000.0 |
nM |
598.8 |
O=C(NCc1cccs1)c1ccnc2c(SSc3cccc4c(C(=O)NCc5cccs5)ccnc34)cccc12 |
Homo sapiens |
CHEMBL4049704 |
cell-based format |
CHEMBL4077883 |
OBDepict
CH
3
O
O
N
S
S
N
O
O
H
3
C
|
IC50 |
= |
1000.0 |
nM |
436.51 |
COC(=O)c1ccnc2c(SSc3cccc4c(C(=O)OC)ccnc34)cccc12 |
Homo sapiens |
CHEMBL4049704 |
cell-based format |
CHEMBL4091693 |
OBDepict
O
NH
N
O
S
S
N
HN
O
O
|
IC50 |
= |
1000.0 |
nM |
574.73 |
O=C(NCC1CCCO1)c1cnc2c(SSc3cccc4cc(C(=O)NCC5CCCO5)cnc34)cccc2c1 |
Homo sapiens |
CHEMBL4049702 |
cell-based format |