molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2139947 |
|
IC50 |
= |
0.074 |
nM |
379.46 |
Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1 |
Homo sapiens |
CHEMBL3635400 |
cell-based format |
CHEMBL3623895 |
OBDepict
CH
3
N
O
CH
3
N
H
O
N
N
N
|
IC50 |
= |
0.11 |
nM |
411.47 |
Cc1cc(-c2ccc(OC(C)C(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1 |
Homo sapiens |
CHEMBL3626166 |
cell-based format |
CHEMBL3623894 |
OBDepict
O
HN
N
N
N
N
CH
3
|
IC50 |
= |
0.19 |
nM |
395.47 |
Cc1cc(-c2ccc(CCC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1 |
Homo sapiens |
CHEMBL3626166 |
cell-based format |
CHEMBL3623875 |
OBDepict
O
N
H
O
N
N
N
N
CH
3
|
IC50 |
= |
0.23 |
nM |
383.41 |
Cc1cc(-c2ccc(OC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1 |
Homo sapiens |
CHEMBL3626166 |
cell-based format |
CHEMBL3188386 |
OBDepict
O
N
H
N
N
CH
3
N
N
N
CH
3
|
IC50 |
= |
0.4 |
nM |
396.45 |
Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1 |
Homo sapiens |
CHEMBL3635400 |
cell-based format |
CHEMBL4080208 |
OBDepict
O
N
H
N
N
O
N
N
H
3
C
CH
3
O
S
|
IC50 |
= |
0.4 |
nM |
395.44 |
Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccsc3)cc2)n(C)c1=O |
Homo sapiens |
CHEMBL4040031 |
cell-based format |
CHEMBL3633801 |
OBDepict
H
3
C
N
O
N
O
CH
3
N
N
CH
3
H
N
H
O
S
|
IC50 |
= |
0.5 |
nM |
409.47 |
C[C@@H](C(=O)Nc1ccc(-c2ccsc2)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C |
Homo sapiens |
CHEMBL3635401 |
cell-based format |
CHEMBL3623893 |
OBDepict
O
HN
S
N
N
N
N
CH
3
|
IC50 |
= |
0.53 |
nM |
413.51 |
Cc1cc(-c2ccc(SCC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1 |
Homo sapiens |
CHEMBL3626166 |
cell-based format |
CHEMBL3623896 |
OBDepict
O
N
H
N
N
CH
3
N
N
N
CH
3
|
IC50 |
= |
0.57 |
nM |
396.45 |
Cc1ccc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)cn1 |
Homo sapiens |
CHEMBL3626166 |
cell-based format |
CHEMBL3623892 |
OBDepict
O
NH
N
CH
3
N
N
N
N
CH
3
|
IC50 |
= |
0.67 |
nM |
410.48 |
Cc1cc(-c2ccc(N(C)CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1 |
Homo sapiens |
CHEMBL3626166 |
cell-based format |
CHEMBL3623891 |
OBDepict
O
HN
N
H
N
N
N
N
CH
3
|
IC50 |
= |
0.96 |
nM |
396.45 |
Cc1cc(-c2ccc(NCC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1 |
Homo sapiens |
CHEMBL3626166 |
cell-based format |
CHEMBL4088716 |
OBDepict
O
N
H
NH
H
3
C
H
N
N
N
N
CH
3
N
|
IC50 |
= |
1.0 |
nM |
399.46 |
C[C@H](Nc1ccc(-c2ccnn2C)nc1)C(=O)Nc1ccc(-c2cccnc2)cn1 |
Homo sapiens |
CHEMBL4000296 |
cell-based format |
CHEMBL4080842 |
OBDepict
O
N
H
NH
H
3
C
H
N
N
N
CH
3
N
|
IC50 |
= |
1.0 |
nM |
398.47 |
C[C@H](Nc1ccc(-c2ccnn2C)nc1)C(=O)Nc1ccc(-c2ccccc2)cn1 |
Homo sapiens |
CHEMBL4000296 |
cell-based format |
CHEMBL4096728 |
OBDepict
O
NH
N
N
O
N
O
CH
3
|
IC50 |
= |
1.0 |
nM |
376.42 |
CN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3ccccc3)cn1)CCC2 |
Homo sapiens |
CHEMBL4040031 |
cell-based format |
CHEMBL4080021 |
OBDepict
O
NH
N
N
N
O
N
O
CH
3
|
IC50 |
= |
1.0 |
nM |
377.4 |
CN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3ccccc3)nn1)CCC2 |
Homo sapiens |
CHEMBL4040031 |
cell-based format |
CHEMBL4070649 |
OBDepict
O
HN
O
N
CH
3
N
|
IC50 |
= |
2.0 |
nM |
383.45 |
Cc1nccn1-c1ccc(OCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1 |
Homo sapiens |
CHEMBL4000296 |
cell-based format |
CHEMBL3623874 |
OBDepict
O
O
NH
N
N
CH
3
|
IC50 |
= |
2.2 |
nM |
381.44 |
Cc1cc(-c2ccc(OC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1 |
Homo sapiens |
CHEMBL3626166 |
cell-based format |
CHEMBL3623887 |
OBDepict
N
O
N
H
O
N
N
N
|
IC50 |
= |
2.7 |
nM |
381.4 |
N#Cc1ccc2cc(OCC(=O)Nc3ccc(-c4cnccn4)cn3)ccc2c1 |
Homo sapiens |
CHEMBL3626166 |
cell-based format |
CHEMBL3633802 |
OBDepict
O
N
H
N
N
N
N
O
N
N
H
3
C
CH
3
O
|
IC50 |
= |
2.9 |
nM |
391.39 |
Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccccc3)nn2)n(C)c1=O |
Homo sapiens |
CHEMBL3635401 |
cell-based format |
CHEMBL4099279 |
OBDepict
O
HN
O
N
CH
3
N
|
IC50 |
= |
4.0 |
nM |
383.45 |
Cn1nccc1-c1ccc(OCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1 |
Homo sapiens |
CHEMBL4000296 |
cell-based format |
CHEMBL3623873 |
OBDepict
O
O
NH
N
CH
3
|
IC50 |
= |
5.0 |
nM |
380.45 |
Cc1cc(-c2ccc(OC(=O)Nc3ccc(-c4ccccc4)cc3)cc2)ccn1 |
Homo sapiens |
CHEMBL3626166 |
cell-based format |
CHEMBL4084739 |
OBDepict
O
N
H
HN
CH
3
H
N
N
N
|
IC50 |
= |
5.0 |
nM |
383.45 |
C[C@H](Nc1ccc(-n2ccnc2)cc1)C(=O)Nc1ccc(-c2ccccc2)cn1 |
Homo sapiens |
CHEMBL4000296 |
cell-based format |
CHEMBL3633804 |
OBDepict
O
N
H
H
N
N
N
N
O
N
N
CH
3
CH
3
O
|
IC50 |
= |
5.0 |
nM |
431.46 |
Cn1c(=O)c2c(nc3n2[C@H](CC(=O)Nc2ccc(-c4ccccc4)nn2)CC3)n(C)c1=O |
Homo sapiens |
CHEMBL3635405 |
cell-based format |
CHEMBL4069295 |
OBDepict
O
NH
N
N
O
N
O
CH
3
|
IC50 |
= |
6.0 |
nM |
376.42 |
CN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3ccccc3)nc1)CCC2 |
Homo sapiens |
CHEMBL4040031 |
cell-based format |
CHEMBL4089128 |
OBDepict
O
N
H
O
CH
3
H
N
N
|
IC50 |
= |
7.0 |
nM |
383.45 |
C[C@H](Oc1ccc(-n2ccnc2)cc1)C(=O)Nc1ccc(-c2ccccc2)cc1 |
Homo sapiens |
CHEMBL4000296 |
cell-based format |
CHEMBL4104447 |
OBDepict
O
NH
N
O
N
O
CH
3
N
|
IC50 |
= |
8.0 |
nM |
376.42 |
CN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3cccnc3)cc1)CCC2 |
Homo sapiens |
CHEMBL4040031 |
cell-based format |
CHEMBL4540197 |
OBDepict
CH
3
N
S
N
N
HN
O
N
N
S
O
CH
3
|
IC50 |
= |
8.0 |
nM |
440.55 |
CCCn1c(SCC(=O)Nc2nc3ccc(OC)cc3s2)nnc1-c1ccncc1 |
Homo sapiens |
CHEMBL4427410 |
single protein format |
CHEMBL4066589 |
OBDepict
O
NH
N
N
N
O
N
O
CH
3
N
F
|
IC50 |
= |
9.0 |
nM |
396.38 |
CN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3cncc(F)c3)nn1)CCC2 |
Homo sapiens |
CHEMBL4040031 |
cell-based format |
CHEMBL4098880 |
OBDepict
O
N
H
NH
H
3
C
H
N
N
N
N
CH
3
N
|
IC50 |
= |
10.0 |
nM |
399.46 |
C[C@H](Nc1ccc(-c2ccnn2C)nc1)C(=O)Nc1ccc(-c2cccnc2)nc1 |
Homo sapiens |
CHEMBL4000296 |
cell-based format |
CHEMBL4095609 |
OBDepict
O
N
H
N
N
N
O
N
O
N
F
|
IC50 |
= |
11.0 |
nM |
422.42 |
O=C(CN1CCCC2=C1C(=O)N(C1CC1)C2=O)Nc1ccc(-c2cncc(F)c2)nn1 |
Homo sapiens |
CHEMBL4040031 |
cell-based format |
CHEMBL4096529 |
OBDepict
O
NH
N
N
O
N
O
CH
3
N
|
IC50 |
= |
11.0 |
nM |
377.4 |
CN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3cccnc3)nc1)CCC2 |
Homo sapiens |
CHEMBL4040031 |
cell-based format |
CHEMBL4066796 |
OBDepict
O
NH
N
O
N
O
CH
3
|
IC50 |
= |
12.0 |
nM |
375.43 |
CN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3ccccc3)cc1)CCC2 |
Homo sapiens |
CHEMBL4040031 |
cell-based format |
CHEMBL4103356 |
OBDepict
O
N
H
N
N
N
O
N
O
N
CH
3
|
IC50 |
= |
12.0 |
nM |
418.46 |
Cc1ccc(-c2ccc(NC(=O)CN3CCCC4=C3C(=O)N(C3CC3)C4=O)nn2)cn1 |
Homo sapiens |
CHEMBL4040031 |
cell-based format |
CHEMBL4087906 |
OBDepict
O
N
H
N
N
N
O
N
O
N
|
IC50 |
= |
12.0 |
nM |
404.43 |
O=C(CN1CCCC2=C1C(=O)N(C1CC1)C2=O)Nc1ccc(-c2cccnc2)nn1 |
Homo sapiens |
CHEMBL4040031 |
cell-based format |
CHEMBL4094309 |
OBDepict
O
NH
N
O
N
O
CH
3
N
S
|
IC50 |
= |
15.0 |
nM |
382.45 |
CN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3nccs3)cc1)CCC2 |
Homo sapiens |
CHEMBL4040031 |
cell-based format |
CHEMBL4097104 |
OBDepict
O
N
H
O
N
N
|
IC50 |
= |
15.0 |
nM |
369.42 |
O=C(COc1ccc(-n2ccnc2)cc1)Nc1ccc(-c2ccccc2)cc1 |
Homo sapiens |
CHEMBL4000296 |
cell-based format |
CHEMBL4061069 |
OBDepict
O
NH
O
N
CH
3
O
N
S
|
IC50 |
= |
15.0 |
nM |
377.43 |
CN1C(=O)c2cccc(CC(=O)Nc3ccc(-c4nccs4)cc3)c2C1=O |
Homo sapiens |
CHEMBL4040031 |
cell-based format |
CHEMBL3623889 |
OBDepict
O
N
H
O
N
N
N
N
O
CH
3
|
IC50 |
= |
24.0 |
nM |
403.44 |
CC(=O)N1CCc2ccc(OCC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C1 |
Homo sapiens |
CHEMBL3626166 |
cell-based format |
CHEMBL4066798 |
OBDepict
O
N
H
N
N
O
N
N
H
3
C
CH
3
O
N
S
|
IC50 |
= |
24.0 |
nM |
396.43 |
Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3nccs3)cc2)n(C)c1=O |
Homo sapiens |
CHEMBL4040031 |
cell-based format |
CHEMBL3633800 |
OBDepict
CH
3
O
N
F
S
N
O
S
N
H
O
N
S
CH
3
|
IC50 |
= |
27.0 |
nM |
514.63 |
COc1cc(F)ccc1-n1c(SCC(=O)Nc2nc3ccc(C)cc3s2)nc2c(c1=O)SCC2 |
Homo sapiens |
CHEMBL3635400 |
cell-based format |
CHEMBL4075204 |
OBDepict
O
NH
N
N
N
O
N
O
CH
3
N
H
3
C
|
IC50 |
= |
29.0 |
nM |
392.42 |
Cc1ccc(-c2ccc(NC(=O)CN3CCCC4=C3C(=O)N(C)C4=O)nn2)cn1 |
Homo sapiens |
CHEMBL4040031 |
cell-based format |
CHEMBL4104257 |
OBDepict
O
NH
N
N
N
O
N
O
CH
3
N
|
IC50 |
= |
29.0 |
nM |
378.39 |
CN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3cccnc3)nn1)CCC2 |
Homo sapiens |
CHEMBL4040031 |
cell-based format |
CHEMBL4081262 |
OBDepict
O
N
H
NH
N
N
|
IC50 |
= |
30.0 |
nM |
368.44 |
O=C(CNc1ccc(-n2ccnc2)cc1)Nc1ccc(-c2ccccc2)cc1 |
Homo sapiens |
CHEMBL4000296 |
cell-based format |
CHEMBL3623879 |
OBDepict
O
N
H
O
N
N
N
N
|
IC50 |
= |
30.0 |
nM |
357.37 |
O=C(COc1ccc2ccncc2c1)Nc1ccc(-c2cnccn2)cn1 |
Homo sapiens |
CHEMBL3626166 |
cell-based format |
CHEMBL3623878 |
OBDepict
O
N
H
S
N
N
N
N
CH
3
|
IC50 |
= |
40.0 |
nM |
413.51 |
Cc1cc(-c2cccc(SCC(=O)Nc3ccc(-c4cnccn4)cn3)c2)ccn1 |
Homo sapiens |
CHEMBL3626166 |
cell-based format |
CHEMBL4096832 |
OBDepict
O
HN
H
N
N
N
|
IC50 |
= |
40.0 |
nM |
408.51 |
O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCCN1c1ccc(-n2ccnc2)cc1 |
Homo sapiens |
CHEMBL4000296 |
cell-based format |
CHEMBL4063419 |
OBDepict
O
N
H
O
O
N
|
IC50 |
= |
42.0 |
nM |
370.41 |
O=C(COc1ccc(-c2cnco2)cc1)Nc1ccc(-c2ccccc2)cc1 |
Homo sapiens |
CHEMBL4000296 |
cell-based format |
CHEMBL4102043 |
OBDepict
O
N
H
N
N
O
N
N
CH
3
H
3
C
O
N
S
|
IC50 |
= |
42.0 |
nM |
422.47 |
Cn1c(=O)c2c(nc3n2C(C(=O)Nc2ccc(-c4nccs4)cc2)CC3)n(C)c1=O |
Homo sapiens |
CHEMBL4040031 |
cell-based format |
CHEMBL1257063 |
OBDepict
CH
3
O
N
N
O
N
H
O
N
H
O
N
S
O
CH
3
|
IC50 |
= |
60.0 |
nM |
515.55 |
COc1ccc(-n2nc(C(=O)NCC(=O)Nc3nc4ccc(OC)cc4s3)c3ccccc3c2=O)cc1 |
Homo sapiens |
CHEMBL3635400 |
cell-based format |
CHEMBL4088085 |
OBDepict
CH
3
O
N
N
O
N
H
N
H
O
N
S
O
CH
3
|
IC50 |
= |
60.0 |
nM |
501.57 |
COc1ccc(-n2nc(CNCC(=O)Nc3nc4ccc(OC)cc4s3)c3ccccc3c2=O)cc1 |
Homo sapiens |
CHEMBL4040030 |
single protein format |
CHEMBL4086549 |
OBDepict
O
NH
N
O
N
O
CH
3
N
|
IC50 |
= |
67.0 |
nM |
376.42 |
CN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3ccccn3)cc1)CCC2 |
Homo sapiens |
CHEMBL4040031 |
cell-based format |
CHEMBL4078705 |
OBDepict
O
NH
N
O
N
O
CH
3
N
|
IC50 |
= |
72.0 |
nM |
376.42 |
CN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3ccncc3)cc1)CCC2 |
Homo sapiens |
CHEMBL4040031 |
cell-based format |
CHEMBL4060944 |
OBDepict
O
N
H
O
CH
3
H
N
N
|
IC50 |
= |
130.0 |
nM |
383.45 |
C[C@@H](Oc1ccc(-n2ccnc2)cc1)C(=O)Nc1ccc(-c2ccccc2)cc1 |
Homo sapiens |
CHEMBL4000296 |
cell-based format |
CHEMBL1257064 |
OBDepict
O
N
H
S
N
S
N
N
O
CH
3
S
|
IC50 |
= |
157.0 |
nM |
466.61 |
Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1 |
Homo sapiens |
CHEMBL4189235 |
cell-based format |
CHEMBL3623877 |
OBDepict
O
N
H
NH
N
N
N
N
CH
3
|
IC50 |
= |
164.0 |
nM |
396.45 |
Cc1cc(-c2cccc(NCC(=O)Nc3ccc(-c4cnccn4)cn3)c2)ccn1 |
Homo sapiens |
CHEMBL3626166 |
cell-based format |
CHEMBL3623876 |
OBDepict
O
N
H
O
N
N
N
N
CH
3
|
IC50 |
= |
188.0 |
nM |
397.44 |
Cc1cc(-c2cccc(OCC(=O)Nc3ccc(-c4cnccn4)cn3)c2)ccn1 |
Homo sapiens |
CHEMBL3626166 |
cell-based format |
CHEMBL3623890 |
OBDepict
O
HN
O
N
N
N
N
N
O
CH
3
|
IC50 |
= |
483.0 |
nM |
432.48 |
CC(=O)N1CCN(c2ccc(OCC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)CC1 |
Homo sapiens |
CHEMBL3626166 |
cell-based format |
CHEMBL3623888 |
OBDepict
N
O
N
H
O
N
N
N
|
IC50 |
= |
485.0 |
nM |
331.34 |
N#Cc1ccc(OCC(=O)Nc2ccc(-c3cnccn3)cn2)cc1 |
Homo sapiens |
CHEMBL3626166 |
cell-based format |
CHEMBL4102661 |
OBDepict
O
N
H
HN
CH
3
H
N
N
N
|
IC50 |
= |
689.0 |
nM |
383.45 |
C[C@@H](Nc1ccc(-n2ccnc2)cc1)C(=O)Nc1ccc(-c2ccccc2)cn1 |
Homo sapiens |
CHEMBL4000296 |
cell-based format |
CHEMBL4204681 |
OBDepict
CH
3
O
N
S
N
O
S
N
H
O
N
S
F
F
F
|
IC50 |
= |
710.0 |
nM |
564.64 |
COc1ccc(Cn2c(SCC(=O)Nc3nc4ccc(C(F)(F)F)cc4s3)nc3c(c2=O)SCC3)cc1 |
Homo sapiens |
CHEMBL4189235 |
cell-based format |