molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL388978 |
|
IC50 |
= |
5.3 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328545 |
single protein format |
CHEMBL4097816 |
OBDepict
Cl
N
N
H
N
N
N
O
N
H
NH
H
CH
3
|
IC50 |
= |
15.0 |
nM |
411.9 |
C[C@@H]1CN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3n2)CCN1 |
Homo sapiens |
CHEMBL4033415 |
assay format |
CHEMBL3128043 |
OBDepict
H
3
C
N
CH
3
N
H
H
N
O
CH
3
H
3
C
N
HN
N
H
N
S
CH
3
N
|
IC50 |
= |
18.1 |
nM |
490.64 |
Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c2sccc2n1 |
Homo sapiens |
CHEMBL3611424 |
single protein format |
CHEMBL494089 |
OBDepict
CH
3
N
N
N
O
O
H
2
N
N
N
H
HN
OH
H
3
C
H
3
C
|
IC50 |
= |
52.0 |
nM |
425.49 |
CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCCNC3)c21 |
Homo sapiens |
CHEMBL1028115 |
single protein format |
CHEMBL3128042 |
OBDepict
H
3
C
O
N
H
N
N
N
N
NH
2
HO
|
IC50 |
= |
126.0 |
nM |
406.49 |
COCCNc1nc2ccc(C#CC3(O)CCCCC3)cc2n1-c1ccnc(N)n1 |
Homo sapiens |
CHEMBL3129188 |
single protein format |
CHEMBL2177736 |
OBDepict
NH
2
O
N
NH
N
HN
H
N
H
H
2
N
N
N
|
IC50 |
= |
166.0 |
nM |
393.45 |
NC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1 |
Homo sapiens |
CHEMBL3707583 |
single protein format |
CHEMBL535 |
OBDepict
H
3
C
N
CH
3
HN
O
H
3
C
CH
3
N
H
O
N
H
F
|
Ki |
= |
500.0 |
nM |
398.48 |
CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c1C |
Homo sapiens |
CHEMBL4035578 |
single protein format |