| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049721
BDB049721
|
Methyl 4-(3-oxoisothiazol-2(3H)-yl)butanoate
COC(=O)CCCn1sccc1=O
|
C8H11NO3S 201.247000 |
DKQYKQNEEYKIDM-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247866; PubChem:CID19425176
|
Local ready
Direct docking supported
|
|
E3L049722
BDB049722
|
methyl 6-(3-oxoisothiazol-2(3H)-yl)hexanoate
COC(=O)CCCCCn1sccc1=O
|
C10H15NO3S 229.301000 |
KYUDBJQSLGNBLW-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247867; PubChem:CID44564469
|
Local ready
Direct docking supported
|
|
E3L049723
BDB049723
|
LY266500
O=c1ccsn1-c1ccc(F)c(Cl)c1
|
C9H5ClFNOS 229.663000 |
OOOJWRSQJXGEDS-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247868; PubChem:CID615184
|
Local ready
Direct docking supported
|
|
E3L049724
BDB049724
|
BDBM50247869
COC(=O)CCn1c(=O)cc(Cl)[s+]1[O-]
|
C7H8ClNO4S 237.664000 |
RRXAWLANFFUOPT-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247869; PubChem:CID42609917
|
Local ready
Direct docking supported
|
|
E3L049725
BDB049725
|
Methyl 3-[(5-chloroisothiazol-3-yl)amino]propanoate
COC(=O)CCNc1cc(Cl)sn1
|
C7H9ClN2O2S 220.681000 |
UUOSWKYOQUIKPY-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247870; PubChem:CID42609919
|
Local ready
Direct docking supported
|
|
E3L049726
BDB049726
|
BDBM50247871
COC(=O)CCn1sc(Cl)c(NC(=O)OCc2ccccc2)c1=O
|
C15H15ClN2O5S 370.814000 |
KAYBXJOOGCABPL-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247871; PubChem:CID42609918
|
Local ready
Direct docking supported
|
|
E3L049727
BDB049727
|
2-(4-Morpholinoaniline)-isothiazol-3(2H)-one
O=c1ccsn1-c1ccc(N2CCOCC2)cc1
|
C13H14N2O2S 262.334000 |
AHSHFDSJUPESJL-UHFFFAOYSA-N | Q09472, Q92831 | Histone acetyltransferase KAT2B, Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50247909; PubChem:CID44564514
|
Local ready
Direct docking supported
|
|
E3L049728
BDB049728
|
5-Hydroxymethyl-2-phenylisothiazol-3(2H)-one
O=c1cc(CO)sn1-c1ccccc1
|
C10H9NO2S 207.254000 |
DSKXPWWYABRVCJ-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247910; PubChem:CID44564515
|
Local ready
Direct docking supported
|
|
E3L049729
BDB049729
|
2-(4-Pyridyl)-isothiazol-3(2H)-one
O=c1ccsn1-c1ccncc1
|
C8H6N2OS 178.216000 |
SKMYNTBICARDSP-UHFFFAOYSA-N | Q09472, Q92831 | Histone acetyltransferase KAT2B, Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50247911; PubChem:CID42609873
|
Local ready
Direct docking supported
|
|
E3L049730
BDB049730
|
2-(4-Dimethylaminoaniline)-isothiazol-3(2H)-one
CN(C)c1ccc(-n2sccc2=O)cc1
|
C11H12N2OS 220.297000 |
RNESYWMDMJMUDJ-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247912; PubChem:CID11252989
|
Local ready
Direct docking supported
|
|
E3L049731
BDB049731
|
2-(3-Pyridyl)-isothiazol-3(2H)-one
O=c1ccsn1-c1cccnc1
|
C8H6N2OS 178.216000 |
NWCCFPKSXBGSMQ-UHFFFAOYSA-N | Q09472, Q92831 | Histone acetyltransferase p300, Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247913; PubChem:CID44564516
|
Local ready
Direct docking supported
|
|
E3L049732
BDB049732
|
5-Acetoxymethyl-2-phenylisothiazol-3(2H)-one
CC(=O)OCc1cc(=O)n(-c2ccccc2)s1
|
C12H11NO3S 249.291000 |
HZJCGGUJUFKGKR-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247914; PubChem:CID44564517
|
Local ready
Direct docking supported
|
|
E3L049733
BDB049733
|
BDBM50248086
CNc1cc(Nc2ccc(-c3nc4ccccc4s3)cc2)ccn1
|
C19H16N4S 332.432000 |
SPSMUNLXZBAXDD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248086; PubChem:CID44564705
|
Local ready
Direct docking supported
|
|
E3L049734
BDB049734
|
BDBM50248087
CNC(=O)c1cc(Nc2ccc(-c3nc4ccccc4s3)cc2)ccn1
|
C20H16N4OS 360.442000 |
PZXJFNOGRSYDFV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248087; PubChem:CID44564706
|
Local ready
Direct docking supported
|
|
E3L049735
BDB049735
|
BDBM50248116
Cc1cc(Nc2cc(Nc3ccc(-c4nc5ccccc5s4)cc3)ccn2)[nH]n1
|
C22H18N6S 398.495000 |
MVXAWROAJALYHX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248116; PubChem:CID44564747
|
Local ready
Direct docking supported
|
|
E3L049736
BDB049736
|
BDBM50248117
CNc1nccc(Nc2ccc(-c3nc4ccccc4s3)cc2)n1
|
C18H15N5S 333.420000 |
IXMITROVYBNKPV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248117; PubChem:CID44564748
|
Local ready
Direct docking supported
|
|
E3L049737
BDB049737
|
BDBM50248118
CNc1ccnc(Nc2ccc(-c3nc4ccccc4s3)cc2)n1
|
C18H15N5S 333.420000 |
OFMHGXYMLMHJTB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248118; PubChem:CID44564749
|
Local ready
Direct docking supported
|
|
E3L049738
BDB049738
|
BDBM50248119
CN(C)c1ccnc(Nc2ccc(-c3nc4ccccc4s3)cc2)n1
|
C19H17N5S 347.447000 |
UTQLMOIUFSXMLI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248119; PubChem:CID44564750
|
Local ready
Direct docking supported
|
|
E3L049739
BDB049739
|
BDBM50248120
CN1CCN(c2ccnc(Nc3ccc(-c4nc5ccccc5s4)cc3)n2)CC1
|
C22H22N6S 402.527000 |
LEIAHMPZLJHAET-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248120; PubChem:CID44564751
|
Local ready
Direct docking supported
|
|
E3L049740
BDB049740
|
BDBM50248146
Cc1cc(Nc2ccnc(Nc3ccc(-c4nc5ccccc5s4)cc3)n2)[nH]n1
|
C21H17N7S 399.483000 |
KOFCLQKGQYBGNB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248146; PubChem:CID44564787
|
Local ready
Direct docking supported
|