molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2179504 |
|
IC50 |
= |
1.5 |
nM |
402.5 |
Cc1cc(C)nc(OCCCn2c3c(c4cc(-c5ncco5)ccc42)CCCC3)n1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL1914885 |
OBDepict
H
3
C
O
O
N
O
N
N
H
3
C
H
3
C
|
IC50 |
= |
1.5 |
nM |
393.49 |
COC(=O)c1ccc2c(c1)c1c(n2CCCOc2nc(C)cc(C)n2)CCCC1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179514 |
OBDepict
F
N
N
H
N
O
N
N
H
3
C
|
IC50 |
= |
1.5 |
nM |
429.5 |
Cc1noc(-c2ccc3c(c2)c2c(n3CCCc3nc4cc(F)ccc4[nH]3)CCCC2)n1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179515 |
OBDepict
F
N
O
F
F
O
N
N
H
3
C
|
IC50 |
= |
1.5 |
nM |
441.45 |
Cc1noc(-c2ccc3c(c2)c2c(n3CC(F)COc3cc(F)cc(F)c3)CCCC2)n1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179485 |
OBDepict
H
3
C
N
N
O
H
3
C
N
O
O
N
N
CH
3
|
IC50 |
= |
1.5 |
nM |
459.55 |
CCc1cc(CC)nc(OCCCn2c3c(c4cc(-c5nc(C)no5)ccc42)C(=O)CCC3)n1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179510 |
OBDepict
F
S
F
N
O
N
N
H
3
C
|
IC50 |
= |
1.5 |
nM |
439.53 |
Cc1noc(-c2ccc3c(c2)c2c(n3CCCSc3cc(F)cc(F)c3)CCCC2)n1 |
Homo sapiens |
CHEMBL2184230 |
cell-based format |
CHEMBL2179493 |
OBDepict
H
3
C
N
N
O
CH
3
N
+
N
O
_
O
|
IC50 |
= |
1.5 |
nM |
408.5 |
CCc1cc(CC)nc(OCCCn2c3c(c4cc([N+](=O)[O-])ccc42)CCCC3)n1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179499 |
OBDepict
CH
3
N
N
O
N
O
N
N
H
3
C
H
3
C
|
IC50 |
= |
1.5 |
nM |
417.51 |
Cc1cc(C)nc(OCCCn2c3c(c4cc(-c5nc(C)no5)ccc42)CCCC3)n1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179500 |
OBDepict
H
3
C
N
N
O
CH
3
N
O
N
N
H
3
C
|
IC50 |
= |
1.5 |
nM |
445.57 |
CCc1cc(CC)nc(OCCCn2c3c(c4cc(-c5nc(C)no5)ccc42)CCCC3)n1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179501 |
OBDepict
CH
3
N
O
N
F
F
F
N
O
N
N
H
3
C
|
IC50 |
= |
1.5 |
nM |
471.48 |
Cc1cc(C(F)(F)F)nc(OCCCn2c3c(c4cc(-c5nc(C)no5)ccc42)CCCC3)n1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179502 |
OBDepict
CH
3
N
N
O
N
S
N
O
O
H
3
C
H
3
C
|
IC50 |
= |
1.5 |
nM |
402.52 |
Cc1noc(-c2ccc3c(c2)c2c(n3CCCS(=O)(=O)N(C)C)CCCC2)n1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179507 |
OBDepict
H
3
C
N
N
O
CH
3
N
N
N
N
N
|
IC50 |
= |
1.5 |
nM |
431.54 |
CCc1cc(CC)nc(OCCCn2c3c(c4cc(-n5cnnn5)ccc42)CCCC3)n1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179508 |
OBDepict
F
O
F
N
O
N
N
H
3
C
|
IC50 |
= |
1.5 |
nM |
423.46 |
Cc1noc(-c2ccc3c(c2)c2c(n3CCCOc3cc(F)cc(F)c3)CCCC2)n1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179509 |
OBDepict
CH
3
N
N
O
N
O
F
F
|
IC50 |
= |
1.5 |
nM |
423.46 |
Cc1noc(-c2ccc3c(c2)c2c(n3CCCOc3ccc(F)c(F)c3)CCCC2)n1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179511 |
OBDepict
CH
3
N
N
O
N
S
F
F
|
IC50 |
= |
1.5 |
nM |
439.53 |
Cc1noc(-c2ccc3c(c2)c2c(n3CCCSc3ccc(F)c(F)c3)CCCC2)n1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179512 |
OBDepict
F
F
S
O
O
N
O
N
N
CH
3
|
IC50 |
= |
5.0 |
nM |
471.53 |
Cc1noc(-c2ccc3c(c2)c2c(n3CCCS(=O)(=O)c3cc(F)cc(F)c3)CCCC2)n1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179106 |
OBDepict
F
S
F
N
O
O
N
N
H
3
C
|
IC50 |
= |
5.0 |
nM |
453.51 |
Cc1noc(-c2ccc3c(c2)c2c(n3CCCSc3cc(F)cc(F)c3)CCCC2=O)n1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179497 |
OBDepict
H
3
C
N
N
O
CH
3
N
N
N
O
H
3
C
|
IC50 |
= |
5.0 |
nM |
445.57 |
CCc1cc(CC)nc(OCCCn2c3c(c4cc(-c5noc(C)n5)ccc42)CCCC3)n1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179488 |
OBDepict
CH
3
O
N
O
N
N
H
CH
3
N
S
O
O
CH
3
|
IC50 |
= |
10.0 |
nM |
444.56 |
COc1cc(OC)nc(NCCCn2c3c(c4cc(S(C)(=O)=O)ccc42)CCCC3)n1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179494 |
OBDepict
CH
3
O
N
O
N
N
H
CH
3
N
N
|
IC50 |
= |
15.0 |
nM |
391.48 |
COc1cc(OC)nc(NCCCn2c3c(c4cc(C#N)ccc42)CCCC3)n1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2177128 |
OBDepict
N
N
O
N
N
CH
3
H
3
C
|
IC50 |
= |
15.0 |
nM |
360.46 |
Cc1cc(C)nc(OCCCn2c3c(c4cc(C#N)ccc42)CCCC3)n1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179498 |
OBDepict
H
3
C
N
N
O
CH
3
N
N
O
N
H
3
C
|
IC50 |
= |
15.0 |
nM |
445.57 |
CCc1cc(CC)nc(OCCCn2c3c(c4cc(-c5nnc(C)o5)ccc42)CCCC3)n1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179513 |
OBDepict
F
F
+
S
_
O
N
O
N
N
H
3
C
|
IC50 |
= |
15.0 |
nM |
455.53 |
Cc1noc(-c2ccc3c(c2)c2c(n3CCC[S+]([O-])c3cc(F)cc(F)c3)CCCC2)n1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179487 |
OBDepict
CH
3
N
N
O
CH
3
N
F
F
O
N
N
H
3
C
|
IC50 |
= |
15.0 |
nM |
481.55 |
CCc1cc(CC)nc(OCCCn2c3c(c4cc(-c5nc(C)no5)ccc42)CC(F)(F)CC3)n1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179486 |
OBDepict
F
S
F
N
F
F
O
N
N
H
3
C
|
IC50 |
= |
15.0 |
nM |
475.51 |
Cc1noc(-c2ccc3c(c2)c2c(n3CCCSc3cc(F)cc(F)c3)CCC(F)(F)C2)n1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179506 |
OBDepict
H
3
C
N
N
N
N
O
N
N
CH
3
CH
3
|
IC50 |
= |
15.0 |
nM |
472.64 |
CCCc1cn(-c2ccc3c(c2)c2c(n3CCCOc3nc(CC)cc(CC)n3)CCCC2)nn1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179490 |
OBDepict
CH
3
N
N
O
CH
3
N
S
O
O
CH
3
|
IC50 |
= |
30.0 |
nM |
441.6 |
CCc1cc(CC)nc(OCCCn2c3c(c4cc(S(C)(=O)=O)ccc42)CCCC3)n1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179503 |
OBDepict
CH
3
N
CH
3
N
O
N
O
N
|
IC50 |
= |
50.0 |
nM |
404.51 |
Cc1cc(C)nc(OCCCn2c3c(c4cc(C5=NCCO5)ccc42)CCCC3)n1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179496 |
OBDepict
N
N
N
N
H
|
IC50 |
= |
50.0 |
nM |
354.46 |
N#Cc1ccc2c(c1)c1c(n2CCCc2nc3ccccc3[nH]2)CCCC1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179495 |
OBDepict
N
N
S
N
O
O
H
3
C
CH
3
|
IC50 |
= |
50.0 |
nM |
345.47 |
CN(C)S(=O)(=O)CCCn1c2c(c3cc(C#N)ccc31)CCCC2 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179505 |
OBDepict
H
3
C
N
N
O
CH
3
N
N
N
N
F
|
IC50 |
= |
50.0 |
nM |
462.57 |
CCc1cc(CC)nc(OCCCn2c3c(c4cc(-n5cc(CF)nn5)ccc42)CCCC3)n1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179489 |
OBDepict
CH
3
N
H
3
C
N
O
N
S
O
O
H
3
C
|
IC50 |
= |
50.0 |
nM |
413.54 |
Cc1cc(C)nc(OCCCn2c3c(c4cc(S(C)(=O)=O)ccc42)CCCC3)n1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL2179492 |
OBDepict
H
N
N
N
S
O
O
H
3
C
|
IC50 |
= |
50.0 |
nM |
407.54 |
CS(=O)(=O)c1ccc2c(c1)c1c(n2CCCc2nc3ccccc3[nH]2)CCCC1 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL1914861 |
OBDepict
H
3
C
O
O
N
N
H
H
3
C
HN
H
H
3
C
|
IC50 |
= |
230.0 |
nM |
379.5 |
COC(=O)c1ccc2c(c1)c1ccccc1n2CCCN1C[C@H](C)N[C@H](C)C1 |
Homo sapiens |
CHEMBL1918056 |
cell-based format |
CHEMBL2179491 |
OBDepict
H
3
C
N
S
CH
3
O
O
N
S
O
O
CH
3
|
IC50 |
= |
500.0 |
nM |
398.55 |
CN(C)S(=O)(=O)CCCn1c2c(c3cc(S(C)(=O)=O)ccc31)CCCC2 |
Homo sapiens |
CHEMBL2184660 |
cell-based format |
CHEMBL1914862 |
OBDepict
CH
3
O
O
N
N
H
H
3
C
HN
H
H
3
C
|
IC50 |
= |
600.0 |
nM |
393.53 |
CCOC(=O)c1ccc2c(c1)c1ccccc1n2CCCN1C[C@H](C)N[C@H](C)C1 |
Homo sapiens |
CHEMBL1918056 |
cell-based format |
CHEMBL1914863 |
OBDepict
H
3
C
O
CH
3
O
N
N
H
H
3
C
HN
H
H
3
C
|
IC50 |
= |
630.0 |
nM |
407.56 |
CC(C)OC(=O)c1ccc2c(c1)c1ccccc1n2CCCN1C[C@H](C)N[C@H](C)C1 |
Homo sapiens |
CHEMBL1918056 |
cell-based format |