| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049681
BDB049681
|
BDBM50245364
Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NCCN1CCCCC1
|
C25H29ClN6O2 481.000000 |
BQGLDSZPKUBDDR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50245364; PubChem:CID25271514
|
Local ready
Direct docking supported
|
|
E3L049682
BDB049682
|
BDBM50245407
Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NCCN1CCOCC1
|
C24H27ClN6O3 482.972000 |
OUKDWNYVCNEMPJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50245407; PubChem:CID25271515
|
Local ready
Direct docking supported
|
|
E3L049683
BDB049683
|
BDBM50245408
COc1ccc(CCNC(=O)c2c(N)ncnc2Nc2ccc(OCc3ccccc3)c(Cl)c2)cc1
|
C27H26ClN5O3 503.990000 |
RURBVASLDVOVQE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50245408; PubChem:CID25271516
|
Local ready
Direct docking supported
|
|
E3L049684
BDB049684
|
BDBM50245409
COCCNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
|
C21H22ClN5O3 427.892000 |
PILVVZXXLLAZDK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50245409; PubChem:CID25271513
|
Local ready
Direct docking supported
|
|
E3L049685
BDB049685
|
BDBM50245410
CCN(CC)C(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
|
C22H24ClN5O2 425.920000 |
VGJXHWMSDLZKOL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50245410; PubChem:CID25271181
|
Local ready
Direct docking supported
|
|
E3L049686
BDB049686
|
BDBM50245420
COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(C(F)(F)F)c5)nn(C)c4c3)c2cc1OC
|
C27H21F3N4O4 522.483000 |
VCBGNDQGKNIBBK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50245420; PubChem:CID11398307
|
Local ready
Direct docking supported
|
|
E3L049687
BDB049687
|
BDBM50245442
Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)OCc1cccc(F)c1
|
C25H20ClFN4O3 478.911000 |
DDVUCDAKPMYAMU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50245442; PubChem:CID25271180
|
Local ready
Direct docking supported
|
|
E3L049688
BDB049688
|
BDBM50245443
COc1ccc(NC(=O)c2c(N)ncnc2Nc2ccc(OCc3ccccc3)c(Cl)c2)cc1
|
C25H22ClN5O3 475.936000 |
QGRYIZRZEGPOEO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50245443; PubChem:CID25271518
|
Local ready
Direct docking supported
|
|
E3L049689
BDB049689
|
BDBM50245445
NNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
|
C18H17ClN6O2 384.827000 |
LBJMYNVKLCTMEK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50245445; PubChem:CID44562420
|
Local ready
Direct docking supported
|
|
E3L049690
BDB049690
|
BDBM50245471
Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NNC(=O)CCN1CCOCC1
|
C25H28ClN7O4 525.997000 |
QXIJLZUHVBQWAZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50245471; PubChem:CID44562431
|
Local ready
Direct docking supported
|
|
E3L049691
BDB049691
|
BDBM50245472
Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1-c1nnc(CCN2CCOCC2)o1
|
C25H26ClN7O3 507.982000 |
ASRPLHQXFWEEDQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50245472; PubChem:CID25063262
|
Local ready
Direct docking supported
|
|
E3L049692
BDB049692
|
PROTAC RIPK degrader-2
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOc2cc3nccc(Nc4ccc5scnc5c4)c3cc2S(=O)(=O)C(C)(C)C)C(C)(C)C)cc1
|
C52H65N7O11S3 1060.331000 |
RIEGJNXDHULIKM-GPPJZCFZSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM50246759; PubChem:CID91799297
|
Local ready
Direct docking supported
|
|
E3L049693
BDB049693
|
BDBM50246763
c1nc(N[C@H]2CC[C@@H](N3CCOCC3)CC2)c2c(C3CCOCC3)c[nH]c2n1
|
C21H31N5O2 385.512000 |
DJVYXMINSBMUHH-CALCHBBNSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM50246763
|
Local ready
Direct docking supported
|
|
E3L049694
BDB049694
|
BDBM50246769
c1nc(NC2CCC(N3CCOCC3)CC2)c2c(C3CCOCC3)c[nH]c2n1
|
C21H31N5O2 385.512000 |
DJVYXMINSBMUHH-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50246769; PubChem:CID131839619
|
Local ready
Direct docking supported
|
|
E3L049695
BDB049695
|
5-Phenylureidomethyl-2-phenylisothiazol-3(2H)-one
O=C(Nc1ccccc1)OCc1cc(=O)n(-c2ccccc2)s1
|
C17H14N2O3S 326.377000 |
ATHCOMBSKXLIKN-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247583; PubChem:CID44564008
|
Local ready
Direct docking supported
|
|
E3L049696
BDB049696
|
2-(2-Pyridyl)-isothiazol-3(2H)-one
O=c1ccsn1-c1ccccn1
|
C8H6N2OS 178.216000 |
LDQGZDZYAMGIRK-UHFFFAOYSA-N | Q09472, Q92831 | Histone acetyltransferase KAT2B, Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50247584; PubChem:CID44564009
|
Local ready
Direct docking supported
|
|
E3L049697
BDB049697
|
5-Azidomethyl-2-phenylisothiazol-3(2H)-one
[N-]=[N+]=NCc1cc(=O)n(-c2ccccc2)s1
|
C10H8N4OS 232.268000 |
QTEUWDORXPSOTI-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247585; PubChem:CID44564010
|
Local ready
Direct docking supported
|
|
E3L049698
BDB049698
|
5-Methyl-2-N-Phenylisothiazol-3(2H)-one
Cc1cc(=O)n(-c2ccccc2)s1
|
C10H9NOS 191.255000 |
HDZOSEIWORKVCL-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247586; PubChem:CID44564011
|
Local ready
Direct docking supported
|
|
E3L049699
BDB049699
|
2,5-diphenylisothiazol-3(2H)-one
O=c1cc(-c2ccccc2)sn1-c1ccccc1
|
C15H11NOS 253.326000 |
XCVACVOQHCBPPN-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247587; PubChem:CID15294640
|
Local ready
Direct docking supported
|
|
E3L049700
BDB049700
|
4-methyl-2-phenylisothiazol-3(2H)-one
Cc1csn(-c2ccccc2)c1=O
|
C10H9NOS 191.255000 |
JBRHASWPOSQUHS-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247588; PubChem:CID44564012
|
Local ready
Direct docking supported
|