molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL565305 |
|
IC50 |
= |
4.7 |
nM |
447.5 |
CCCOCCn1c(=O)c(NCc2cnccn2)nc2cnc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL584270 |
OBDepict
CH
3
O
N
O
N
N
H
N
N
O
O
CH
3
|
IC50 |
= |
8.6 |
nM |
439.52 |
CCCOCCn1c(=O)c(NCC2CCCO2)nc2cnc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL566797 |
OBDepict
H
3
C
O
N
O
N
HN
N
N
O
O
CH
3
CH
3
|
IC50 |
= |
9.3 |
nM |
427.51 |
CCCOCCn1c(=O)c(NCCOCC)nc2cnc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL567470 |
OBDepict
CH
3
O
N
O
N
N
H
N
H
N
O
H
OH
CH
3
|
IC50 |
= |
9.8 |
nM |
453.54 |
CCCOCCn1c(=O)c(N[C@H]2CC[C@H](O)CC2)nc2cnc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL569481 |
OBDepict
CH
3
O
N
O
N
N
H
N
N
N
O
CH
3
|
IC50 |
= |
10.8 |
nM |
446.51 |
CCCOCCn1c(=O)c(NCc2ccccn2)nc2cnc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL551052 |
OBDepict
CH
3
O
N
O
N
H
N
N
N
N
O
O
CH
3
|
IC50 |
= |
11.3 |
nM |
468.56 |
CCCOCCn1c(=O)c(NCCN2CCOCC2)nc2cnc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL567447 |
OBDepict
H
3
C
O
N
O
N
HN
N
N
HO
O
CH
3
|
IC50 |
= |
13.8 |
nM |
413.48 |
CCCOCCn1c(=O)c(NCCCO)nc2cnc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL585918 |
OBDepict
CH
3
O
N
O
N
H
N
N
N
O
N
O
N
CH
3
CH
3
|
IC50 |
= |
14.7 |
nM |
495.58 |
CCCOCCn1c(=O)c(NCC(=O)N2CCN(C)CC2)nc2cnc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL567471 |
OBDepict
H
3
C
O
N
O
N
HN
N
N
OH
H
3
C
H
O
CH
3
|
IC50 |
= |
15.1 |
nM |
413.48 |
CCCOCCn1c(=O)c(NC[C@@H](C)O)nc2cnc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL568839 |
OBDepict
H
3
C
O
N
O
N
HN
N
N
NH
O
H
3
C
O
CH
3
|
IC50 |
= |
15.2 |
nM |
426.48 |
CCCOCCn1c(=O)c(NCC(=O)NC)nc2cnc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL566820 |
OBDepict
CH
3
O
N
O
N
N
N
H
H
N
O
H
OH
CH
3
|
IC50 |
= |
15.3 |
nM |
453.54 |
CCCOCCn1c(=O)c(N[C@H]2CC[C@H](O)CC2)nc2ncc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL566367 |
OBDepict
H
3
C
O
N
O
N
HN
N
N
OH
H
3
C
H
O
CH
3
|
IC50 |
= |
15.3 |
nM |
413.48 |
CCCOCCn1c(=O)c(NC[C@H](C)O)nc2cnc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL565306 |
OBDepict
CH
3
O
N
O
N
H
N
N
N
O
N
O
O
CH
3
|
IC50 |
= |
16.1 |
nM |
482.54 |
CCCOCCn1c(=O)c(NCC(=O)N2CCOCC2)nc2cnc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL569492 |
OBDepict
H
3
C
O
N
O
N
HN
N
H
3
C
H
N
OH
O
CH
3
|
IC50 |
= |
17.7 |
nM |
413.48 |
CCCOCCn1c(=O)c(N[C@H](C)CO)nc2cnc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL566375 |
OBDepict
H
3
C
O
N
O
N
HN
N
H
3
C
H
N
OH
O
CH
3
|
IC50 |
= |
17.9 |
nM |
413.48 |
CCCOCCn1c(=O)c(N[C@@H](C)CO)nc2cnc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL583854 |
OBDepict
H
3
C
O
N
O
N
HN
N
H
OH
H
3
C
N
O
CH
3
|
IC50 |
= |
23.2 |
nM |
427.51 |
CCCOCCn1c(=O)c(N[C@H](CC)CO)nc2cnc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL569045 |
OBDepict
CH
3
O
N
O
N
N
N
H
N
N
N
O
CH
3
|
IC50 |
= |
23.6 |
nM |
447.5 |
CCCOCCn1c(=O)c(NCc2cnccn2)nc2ncc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL569264 |
OBDepict
CH
3
O
N
O
N
H
N
N
N
O
N
O
CH
3
OH
|
IC50 |
= |
24.6 |
nM |
496.57 |
CCCOCCn1c(=O)c(NCC(=O)N2CCC(O)CC2)nc2cnc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL585327 |
OBDepict
CH
3
O
N
O
N
NH
N
N
OH
O
H
3
C
|
IC50 |
= |
26.3 |
nM |
399.45 |
CCCOCCn1c(=O)c(NCCO)nc2cnc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL567016 |
OBDepict
CH
3
O
N
O
N
N
N
H
N
O
O
CH
3
|
IC50 |
= |
31.4 |
nM |
453.54 |
CCCOCCn1c(=O)c(NCC2CCOCC2)nc2ncc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL569491 |
OBDepict
CH
3
O
N
O
N
N
N
H
N
N
O
CH
3
|
IC50 |
= |
34.5 |
nM |
446.51 |
CCCOCCn1c(=O)c(NCc2ccccn2)nc2ncc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL566598 |
OBDepict
H
3
C
O
N
O
N
N
H
N
N
N
O
O
H
3
C
|
IC50 |
= |
39.5 |
nM |
466.54 |
CCCOCCn1c(=O)c(NCC(=O)N2CCCC2)nc2cnc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL565308 |
OBDepict
H
3
C
O
N
O
N
HN
N
N
O
HO
O
CH
3
|
IC50 |
= |
45.5 |
nM |
413.43 |
CCCOCCn1c(=O)c(NCC(=O)O)nc2cnc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL585015 |
OBDepict
H
3
C
O
N
O
N
N
HN
N
OH
H
3
C
H
O
CH
3
|
IC50 |
= |
49.7 |
nM |
413.48 |
CCCOCCn1c(=O)c(NC[C@@H](C)O)nc2ncc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL584056 |
OBDepict
H
3
C
O
N
O
N
N
HN
N
OH
H
3
C
H
O
CH
3
|
IC50 |
= |
51.8 |
nM |
413.48 |
CCCOCCn1c(=O)c(NC[C@H](C)O)nc2ncc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL567445 |
OBDepict
CH
3
O
N
O
N
H
N
N
N
O
N
O
N
CH
3
H
3
C
|
IC50 |
= |
55.9 |
nM |
509.61 |
CCCOCCn1c(=O)c(NCC(=O)N2CCN(CC)CC2)nc2cnc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL584317 |
OBDepict
H
3
C
O
N
O
N
N
HN
N
O
O
CH
3
CH
3
|
IC50 |
= |
57.4 |
nM |
427.51 |
CCCOCCn1c(=O)c(NCCOCC)nc2ncc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL4099219 |
OBDepict
H
N
O
N
S
O
O
O
|
IC50 |
= |
58.0 |
nM |
402.43 |
O=c1c2ccccc2oc2c(Cc3ccc4c(c3)OCO4)[nH]c(-c3nccs3)c12 |
Homo sapiens |
CHEMBL4014054 |
assay format |
CHEMBL551250 |
OBDepict
CH
3
O
N
O
N
H
N
N
N
N
O
O
CH
3
|
IC50 |
= |
61.8 |
nM |
468.56 |
CCCOCCn1c(=O)c(NCCN2CCOCC2)nc2ncc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL585352 |
OBDepict
H
3
C
O
N
O
N
N
HN
H
3
C
H
N
OH
O
CH
3
|
IC50 |
= |
63.2 |
nM |
413.48 |
CCCOCCn1c(=O)c(N[C@H](C)CO)nc2ncc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL567446 |
OBDepict
H
3
C
O
N
O
N
N
HN
H
3
C
H
N
OH
O
CH
3
|
IC50 |
= |
68.2 |
nM |
413.48 |
CCCOCCn1c(=O)c(N[C@@H](C)CO)nc2ncc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL584285 |
OBDepict
CH
3
O
N
O
N
H
N
N
N
O
N
O
N
CH
3
CH
3
|
IC50 |
= |
80.2 |
nM |
495.58 |
CCCOCCn1c(=O)c(NCC(=O)N2CCN(C)CC2)nc2ncc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL571693 |
OBDepict
H
3
C
O
N
O
N
HN
N
N
O
H
2
N
O
CH
3
|
IC50 |
= |
86.6 |
nM |
412.45 |
CCCOCCn1c(=O)c(NCC(N)=O)nc2cnc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL571469 |
OBDepict
H
3
C
O
N
O
N
HN
N
N
N
O
CH
3
H
3
C
O
CH
3
|
IC50 |
= |
86.6 |
nM |
440.5 |
CCCOCCn1c(=O)c(NCC(=O)N(C)C)nc2cnc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL579669 |
OBDepict
CH
3
O
N
O
N
H
N
N
N
O
N
O
N
CH
3
H
3
C
|
IC50 |
= |
98.9 |
nM |
509.61 |
CCCOCCn1c(=O)c(NCC(=O)N2CCN(CC)CC2)nc2ncc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL571913 |
OBDepict
CH
3
O
N
O
N
H
N
N
N
O
N
O
HN
CH
3
|
IC50 |
= |
100.0 |
nM |
481.56 |
CCCOCCn1c(=O)c(NCC(=O)N2CCNCC2)nc2cnc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL569265 |
OBDepict
CH
3
O
N
O
N
H
N
N
N
O
N
O
O
CH
3
|
IC50 |
= |
114.0 |
nM |
482.54 |
CCCOCCn1c(=O)c(NCC(=O)N2CCOCC2)nc2ncc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL567255 |
OBDepict
CH
3
O
N
O
N
N
NH
N
OH
O
H
3
C
|
IC50 |
= |
114.0 |
nM |
399.45 |
CCCOCCn1c(=O)c(NCCO)nc2ncc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL571912 |
OBDepict
H
3
C
O
N
O
N
N
HN
N
NH
O
H
3
C
O
CH
3
|
IC50 |
= |
115.0 |
nM |
426.48 |
CCCOCCn1c(=O)c(NCC(=O)NC)nc2ncc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL583835 |
OBDepict
H
3
C
O
N
O
N
N
HN
N
HO
O
CH
3
|
IC50 |
= |
124.0 |
nM |
413.48 |
CCCOCCn1c(=O)c(NCCCO)nc2ncc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL567229 |
OBDepict
H
3
C
O
N
O
N
HN
N
N
N
CH
3
H
3
C
O
CH
3
|
IC50 |
= |
261.0 |
nM |
426.52 |
CCCOCCn1c(=O)c(NCCN(C)C)nc2cnc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL567252 |
OBDepict
H
3
C
O
N
O
HN
N
N
NH
N
O
HO
CH
3
|
IC50 |
= |
272.0 |
nM |
442.52 |
CCCOCCn1c(=O)c(NCCNCCO)nc2cnc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL566819 |
OBDepict
H
3
C
O
N
O
N
N
HN
N
O
H
2
N
O
CH
3
|
IC50 |
= |
398.0 |
nM |
412.45 |
CCCOCCn1c(=O)c(NCC(N)=O)nc2ncc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL565331 |
OBDepict
H
3
C
O
N
O
N
N
HN
N
N
O
CH
3
H
3
C
O
CH
3
|
IC50 |
= |
398.0 |
nM |
440.5 |
CCCOCCn1c(=O)c(NCC(=O)N(C)C)nc2ncc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |
CHEMBL565518 |
OBDepict
H
3
C
O
N
O
N
N
HN
N
O
HO
O
CH
3
|
IC50 |
= |
576.0 |
nM |
413.43 |
CCCOCCn1c(=O)c(NCC(=O)O)nc2ncc(-c3ccc(OC)nc3)cc21 |
Homo sapiens |
CHEMBL1042745 |
single protein format |