molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3115317 |
|
IC50 |
= |
70.0 |
nM |
345.27 |
N#Cc1cn(-c2c[nH]n(-c3cc(N4CC(F)(F)C4)ncn3)c2=O)nn1 |
Homo sapiens |
CHEMBL3705129 |
single protein format |
CHEMBL3640646 |
OBDepict
N
N
N
N
O
N
H
N
N
N
F
F
|
IC50 |
= |
90.0 |
nM |
344.29 |
N#Cc1cn(-c2c[nH]n(-c3cc(N4CC(F)(F)C4)ncn3)c2=O)cn1 |
Homo sapiens |
CHEMBL3705129 |
single protein format |
CHEMBL3640645 |
OBDepict
N
N
N
N
N
O
N
H
N
N
N
F
F
|
IC50 |
= |
130.0 |
nM |
359.3 |
N#Cc1cn(-c2c[nH]n(-c3cc(N4CCC(F)(F)C4)ncn3)c2=O)nn1 |
Homo sapiens |
CHEMBL3705129 |
single protein format |
CHEMBL3642645 |
OBDepict
N
N
N
N
N
O
N
H
N
N
N
O
|
IC50 |
= |
170.0 |
nM |
339.32 |
N#Cc1cn(-c2c[nH]n(-c3cc(N4CCCCO4)ncn3)c2=O)nn1 |
Homo sapiens |
CHEMBL3705129 |
single protein format |
CHEMBL3651449 |
OBDepict
H
N
N
N
O
N
N
N
O
|
IC50 |
= |
180.0 |
nM |
324.34 |
O=c1c(-c2cccnc2)c[nH]n1-c1cc(N2CCOCC2)ncn1 |
Homo sapiens |
CHEMBL3705319 |
single protein format |
CHEMBL3642643 |
OBDepict
N
N
N
N
O
N
H
N
N
N
O
|
IC50 |
= |
180.0 |
nM |
352.36 |
N#Cc1cn(-c2c[nH]n(-c3cc(N4CCCOCC4)ncn3)c2=O)cn1 |
Homo sapiens |
CHEMBL3705129 |
single protein format |
CHEMBL332005 |
OBDepict
OH
O
N
N
O
OH
|
IC50 |
= |
185.0 |
nM |
244.21 |
O=C(O)c1ccc(-c2ccc(C(=O)O)cn2)nc1 |
Homo sapiens |
CHEMBL844877 |
single protein format |
CHEMBL3640754 |
OBDepict
Br
N
N
O
N
H
N
O
OH
|
IC50 |
= |
260.0 |
nM |
361.15 |
O=C(O)c1ccc(-n2[nH]cc(-c3cncc(Br)c3)c2=O)nc1 |
Homo sapiens |
CHEMBL3705711 |
single protein format |
CHEMBL124527 |
OBDepict
H
3
C
O
HN
O
N
N
O
OH
|
IC50 |
= |
320.0 |
nM |
363.37 |
CCOc1ccc(NC(=O)c2ccc(-c3ccc(C(=O)O)cn3)nc2)cc1 |
Homo sapiens |
CHEMBL844877 |
single protein format |
CHEMBL3642644 |
OBDepict
N
N
N
N
N
O
N
H
N
N
N
O
|
IC50 |
= |
380.0 |
nM |
353.35 |
N#Cc1cn(-c2c[nH]n(-c3cc(N4CCCOCC4)ncn3)c2=O)nn1 |
Homo sapiens |
CHEMBL3705129 |
single protein format |
CHEMBL3651450 |
OBDepict
Cl
N
N
O
N
H
N
N
N
O
|
IC50 |
= |
480.0 |
nM |
358.79 |
O=c1c(-c2ccc(Cl)nc2)c[nH]n1-c1cc(N2CCOCC2)ncn1 |
Homo sapiens |
CHEMBL3705319 |
single protein format |
CHEMBL3640643 |
OBDepict
OH
O
N
N
N
N
N
H
O
N
N
|
IC50 |
= |
540.0 |
nM |
327.3 |
O=C(O)C1CN(c2cc(-n3[nH]cc(-n4ccnc4)c3=O)ncn2)C1 |
Homo sapiens |
CHEMBL3705129 |
single protein format |
CHEMBL3651451 |
OBDepict
CH
3
N
N
H
3
C
N
N
N
N
H
O
N
|
IC50 |
= |
700.0 |
nM |
333.36 |
Cc1cc(C)n(-c2cc(-n3[nH]cc(-c4cccnc4)c3=O)ncn2)n1 |
Homo sapiens |
CHEMBL3705319 |
single protein format |
CHEMBL3640644 |
OBDepict
CH
3
N
H
3
C
N
N
N
N
N
H
O
N
N
N
|
IC50 |
= |
760.0 |
nM |
327.35 |
CN(C)C1CN(c2cc(-n3[nH]cc(-n4ccnn4)c3=O)ncn2)C1 |
Homo sapiens |
CHEMBL3705129 |
single protein format |
CHEMBL3651452 |
OBDepict
Cl
N
S
N
N
N
H
O
N
|
IC50 |
= |
880.0 |
nM |
355.81 |
O=c1c(-c2cccnc2)c[nH]n1-c1nnc(-c2ccc(Cl)cc2)s1 |
Homo sapiens |
CHEMBL3705319 |
single protein format |
CHEMBL3640642 |
OBDepict
H
N
N
N
N
O
N
N
N
N
N
|
IC50 |
= |
880.0 |
nM |
367.42 |
O=c1c(-n2ccnn2)c[nH]n1-c1cc(N2CCN(C3CCC3)CC2)ncn1 |
Homo sapiens |
CHEMBL3705129 |
single protein format |
CHEMBL3651453 |
OBDepict
CH
3
O
N
N
N
N
N
N
H
O
N
|
IC50 |
= |
890.0 |
nM |
381.44 |
COCCN1CCN(c2cc(-n3[nH]cc(-c4cccnc4)c3=O)ncn2)CC1 |
Homo sapiens |
CHEMBL3705319 |
single protein format |
CHEMBL3640757 |
OBDepict
O
HN
HN
Cl
Cl
N
N
N
H
O
N
|
IC50 |
= |
900.0 |
nM |
455.31 |
O=C(NCc1ccnc(-n2[nH]cc(-c3cccnc3)c2=O)c1)Nc1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL3705711 |
single protein format |
CHEMBL3640755 |
OBDepict
O
HN
N
CH
3
H
3
C
CH
3
N
N
H
O
N
|
IC50 |
= |
910.0 |
nM |
337.38 |
CC(C)(C)NC(=O)c1ccc(-n2[nH]cc(-c3cccnc3)c2=O)nc1 |
Homo sapiens |
CHEMBL3705711 |
single protein format |
CHEMBL3651454 |
OBDepict
H
N
N
N
O
N
N
|
IC50 |
= |
930.0 |
nM |
239.24 |
O=c1c(-c2cccnc2)c[nH]n1-c1cnccn1 |
Homo sapiens |
CHEMBL3705319 |
single protein format |
CHEMBL1744254 |
OBDepict
CH
3
O
S
N
H
O
O
O
N
O
_
O
+
Na
|
IC50 |
= |
1000.0 |
nM |
358.31 |
COc1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)[O-])nc2)cc1.[Na+] |
Homo sapiens |
CHEMBL765596 |
single protein format |