molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4167193 |
|
IC50 |
= |
8.0 |
nM |
428.66 |
CN(C)[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](c5ccc6ccncc6c5)[C@@]4(C)CC[C@@H]32)C1 |
Homo sapiens |
CHEMBL4150530 |
assay format |
CHEMBL4080906 |
OBDepict
H
3
C
N
H
3
C
H
H
HO
O
H
HO
H
CH
3
H
N
|
IC50 |
= |
10.0 |
nM |
472.63 |
CN(C)[C@H]1C[C@@]23CC[C@@]4(O2)C(=CC[C@]2(C)[C@@H](c5ccc6ccncc6c5)CC[C@@H]42)C=C3[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL4220220 |
single protein format |
CHEMBL4578881 |
OBDepict
Br
CH
3
Br
N
N
N
HN
ClH
|
IC50 |
= |
10.4 |
nM |
450.61 |
Cc1c(Br)c(Br)c2c3c1nc(N1CCNCC1)n3CCC2.Cl |
Homo sapiens |
CHEMBL4413172 |
single protein format |
CHEMBL223360 |
OBDepict
O
N
H
N
H
F
CH
3
NH
2
N
N
H
|
IC50 |
= |
24.0 |
nM |
375.41 |
Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1 |
Homo sapiens |
CHEMBL4220245 |
single protein format |
CHEMBL4792974 |
OBDepict
O
N
H
HN
O
Cl
F
F
F
N
N
O
N
|
IC50 |
= |
29.0 |
nM |
525.87 |
O=C(Nc1ccc2c(c1)Oc1ncccc1C(=O)N2c1ccncc1)Nc1ccc(Cl)c(C(F)(F)F)c1 |
Homo sapiens |
CHEMBL4771303 |
single protein format |
CHEMBL4639890 |
OBDepict
H
3
C
N
H
3
C
H
H
HO
O
H
HO
H
CH
3
H
N
|
IC50 |
= |
100.0 |
nM |
472.63 |
CN(C)[C@H]1C[C@@]23CC[C@]4(O2)C(=CC[C@]2(C)[C@@H](c5ccc6ccncc6c5)CC[C@@H]42)C=C3[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL4613411 |
single protein format |
CHEMBL1336 |
OBDepict
CH
3
NH
O
N
O
N
H
NH
O
Cl
F
F
F
|
IC50 |
= |
206.0 |
nM |
464.83 |
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 |
Homo sapiens |
CHEMBL4220245 |
single protein format |
CHEMBL4853293 |
OBDepict
_
O
O
Br
NH
2
N
+
Na
|
IC50 |
< |
300.0 |
nM |
339.12 |
Nc1nccc2c(Br)cc3cc(C(=O)[O-])ccc3c12.[Na+] |
Homo sapiens |
CHEMBL4807035 |
single protein format |