molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL1779976 |
|
IC50 |
= |
1.8 |
nM |
452.56 |
Cc1cccc(CNC(=O)C2CN(Cc3nc(-c4ccccc4)oc3C)Cc3ccccc32)n1 |
Homo sapiens |
CHEMBL1780333 |
single protein format |
CHEMBL1779978 |
OBDepict
CH
3
N
N
H
O
N
N
H
3
C
O
|
IC50 |
= |
1.8 |
nM |
404.51 |
Cc1cccc(CNC(=O)C2CCCN(Cc3nc(-c4ccccc4)oc3C)C2)n1 |
Homo sapiens |
CHEMBL1780333 |
single protein format |
CHEMBL1779984 |
OBDepict
CH
3
H
N
H
N
H
O
N
CH
3
O
N
H
3
C
|
IC50 |
= |
1.8 |
nM |
432.57 |
CC[C@@H]1C[C@@H](C(=O)NCc2cccc(C)n2)CN(Cc2nc(-c3ccccc3)oc2C)C1 |
Homo sapiens |
CHEMBL1780333 |
single protein format |
CHEMBL2070735 |
OBDepict
CH
3
N
N
NH
2
N
N
N
H
O
N
N
S
|
IC50 |
= |
1.9 |
nM |
346.42 |
Cc1nc(N)c2nnn(C[C@H]3CN(Cc4nccs4)CCO3)c2n1 |
Homo sapiens |
CHEMBL2073624 |
single protein format |
CHEMBL4762103 |
OBDepict
F
F
O
N
N
CH
3
H
N
N
Cl
N
H
2
N
|
IC50 |
= |
10.0 |
nM |
354.75 |
C[C@@H](c1cc(OCC(F)F)ccn1)n1cnc2c(N)nc(Cl)nc21 |
Homo sapiens |
CHEMBL4706222 |
assay format |
CHEMBL3646900 |
OBDepict
F
O
F
N
O
N
O
N
O
N
|
IC50 |
= |
15.0 |
nM |
558.59 |
N#Cc1cc(Cn2c(=O)c3cc(OC(CF)CF)ccc3n(C3CCN(C=O)CC3)c2=O)ccc1-c1ccccc1 |
Homo sapiens |
CHEMBL3706022 |
single protein format |
CHEMBL4753446 |
OBDepict
F
F
O
N
N
CH
3
N
N
Cl
N
H
2
N
|
IC50 |
= |
26.0 |
nM |
354.75 |
CC(c1cc(OCC(F)F)ccn1)n1cnc2c(N)nc(Cl)nc21 |
Homo sapiens |
CHEMBL4706222 |
assay format |
CHEMBL4790482 |
OBDepict
Cl
N
N
NH
2
N
N
N
|
IC50 |
= |
46.0 |
nM |
328.81 |
Nc1nc(Cl)nc2c1ncn2Cc1cccc(C2CCCC2)n1 |
Homo sapiens |
CHEMBL4706222 |
assay format |
CHEMBL4800434 |
OBDepict
Cl
N
N
NH
2
N
N
N
F
|
IC50 |
= |
130.0 |
nM |
354.78 |
Nc1nc(Cl)nc2c1ncn2Cc1cccc(-c2ccccc2F)n1 |
Homo sapiens |
CHEMBL4706222 |
assay format |
CHEMBL3646893 |
OBDepict
F
O
F
N
O
N
O
N
O
O
O
H
3
C
H
3
C
|
IC50 |
= |
140.0 |
nM |
517.53 |
COc1ccc(Cn2c(=O)c3cc(OC(CF)CF)ccc3n(C3CCN(C=O)CC3)c2=O)cc1OC |
Homo sapiens |
CHEMBL3706022 |
single protein format |
CHEMBL4789101 |
OBDepict
Cl
N
N
NH
2
N
N
N
O
|
IC50 |
= |
220.0 |
nM |
344.81 |
Nc1nc(Cl)nc2c1ncn2Cc1cccc(C2CCOCC2)n1 |
Homo sapiens |
CHEMBL4706222 |
assay format |
CHEMBL4778928 |
OBDepict
Cl
N
N
NH
2
N
N
N
O
|
IC50 |
= |
240.0 |
nM |
326.75 |
Nc1nc(Cl)nc2c1ncn2Cc1cccc(-c2ccco2)n1 |
Homo sapiens |
CHEMBL4706222 |
assay format |
CHEMBL4745958 |
OBDepict
Cl
N
N
NH
2
N
N
N
O
|
IC50 |
= |
250.0 |
nM |
342.79 |
Nc1nc(Cl)nc2c1ncn2Cc1cccc(C2=CCOCC2)n1 |
Homo sapiens |
CHEMBL4706222 |
assay format |
CHEMBL4798107 |
OBDepict
Cl
N
N
NH
2
N
N
N
|
IC50 |
= |
250.0 |
nM |
326.79 |
Nc1nc(Cl)nc2c1ncn2Cc1cccc(C2=CCCC2)n1 |
Homo sapiens |
CHEMBL4706222 |
assay format |
CHEMBL4757863 |
OBDepict
F
F
O
N
N
N
N
Cl
N
NH
2
|
IC50 |
= |
360.0 |
nM |
340.72 |
Nc1nc(Cl)nc2c1ncn2Cc1cc(OCC(F)F)ccn1 |
Homo sapiens |
CHEMBL4706222 |
assay format |
CHEMBL4747327 |
OBDepict
Cl
N
N
N
N
Cl
N
NH
2
|
IC50 |
= |
410.0 |
nM |
295.13 |
Nc1nc(Cl)nc2c1ncn2Cc1cc(Cl)ccn1 |
Homo sapiens |
CHEMBL4706222 |
assay format |
CHEMBL4750412 |
OBDepict
CH
3
O
N
N
N
N
Cl
N
H
2
N
|
IC50 |
= |
660.0 |
nM |
290.71 |
COc1ccnc(Cn2cnc3c(N)nc(Cl)nc32)c1 |
Homo sapiens |
CHEMBL4706222 |
assay format |
CHEMBL4786234 |
OBDepict
F
F
O
N
N
N
N
Cl
N
NH
2
|
IC50 |
= |
920.0 |
nM |
340.72 |
Nc1nc(Cl)nc2c1ncn2Cc1cccc(OCC(F)F)n1 |
Homo sapiens |
CHEMBL4706222 |
assay format |