| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L057341
BDB057341
|
BDBM50467020
CNC(=O)Nc1sc2c(C(C)C)cc(NS(=O)(=O)c3cccs3)cc2c1C(N)=O
|
C18H20N4O4S3 452.583000 |
YKWYZJMMPLDDJZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50467020; PubChem:CID145990292
|
Local ready
Direct docking supported
|
|
E3L057342
BDB057342
|
5-benzyloxy-2-amino-1H-indole-3-carbonitrile
N#Cc1c(N)[nH]c2ccc(OCc3ccccc3)cc12
|
C16H13N3O 263.300000 |
PAOATYUTLBQHTL-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50467088; PubChem:CID22180707
|
Local ready
Direct docking supported
|
|
E3L057343
BDB057343
|
BDBM50467089
N#Cc1c(N)n(CC2CC2)c2ccc(Oc3ccc(NC(=O)CN)cc3)cc12
|
C21H21N5O2 375.432000 |
MLJKHSWYZHQWGO-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50467089; PubChem:CID145993747
|
Local ready
Direct docking supported
|
|
E3L057344
BDB057344
|
5-benzyloxy-2-amino-1-methyl-1H-indole-3-carbonitrile
Cn1c(N)c(C#N)c2cc(OCc3ccccc3)ccc21
|
C17H15N3O 277.327000 |
DNTRPHSROSAPKH-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50467092; PubChem:CID22180710
|
Local ready
Direct docking supported
|
|
E3L057345
BDB057345
|
BDBM50467094
Cn1c(N)c(C#N)c2cc(OCc3cccc(N)c3)ccc21
|
C17H16N4O 292.342000 |
DBDFIKCROZYTSQ-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50467094; PubChem:CID22180716
|
Local ready
Direct docking supported
|
|
E3L057346
BDB057346
|
BDBM50467131
CCCCc1nc(C(C)C)c(CC(=S)N2CCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C32H37N5O3S 571.747000 |
CCPJHWPUGFTSMB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50467131; PubChem:CID142533975
|
Local ready
Direct docking supported
|
|
E3L057347
BDB057347
|
BDBM50467203
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(CP(=O)(O)O)cc1)C(=O)N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)NC1(C(=O)N[C@@H](CC(C)C)C(N)=O)CC1
|
C56H74ClN10O14PS 1209.758000 |
FBKFDSUZBVDZIX-FFGDOFBPSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50467203; PubChem:CID9812342
|
Local ready
Direct docking supported
|
|
E3L057348
BDB057348
|
Nutlin-2
CCOc1cc(OC)ccc1C1=N[C@@H](c2ccc(Br)cc2)[C@@H](c2ccc(Br)cc2)N1C(=O)N1CCN(CCO)CC1
|
C31H34Br2N4O4 686.445000 |
PVRYEWOXWGDQHA-URLMMPGGSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50467204; PubChem:CID5288631
|
Local ready
Direct docking supported
|
|
E3L057349
BDB057349
|
BDBM50467205
CN1C(=O)C(Cc2ccc(Cl)cc2)=C(c2c[nH]c3cc(Cl)ccc23)[C@]1(O)Cc1ccc(Cl)cc1
|
C27H21Cl3N2O2 511.836000 |
HHGSWONIEYVVCX-HHHXNRCGSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50467205; PubChem:CID145979925
|
Local ready
Direct docking supported
|
|
E3L057350
BDB057350
|
BDBM50467206
O=C1O[C@](O)(Cc2ccc(Cl)cc2)C(c2c[nH]c3cc(Cl)ccc23)=C1Cc1ccc(Cl)cc1
|
C26H18Cl3NO3 498.793000 |
MLBSWDQJORDIOB-AREMUKBSSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50467206; PubChem:CID122177105
|
Local ready
Direct docking supported
|
|
E3L057351
BDB057351
|
BDBM50467282
COc1ccccc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O
|
C29H27Cl2N3O2 520.460000 |
LORLESVGPXXLDO-SANMLTNESA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50467282; PubChem:CID145989532
|
Local ready
Direct docking supported
|
|
E3L057352
BDB057352
|
BDBM50467283
COc1ccncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O
|
C28H26Cl2N4O2 521.448000 |
DDVYETORLOKDSF-VWLOTQADSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50467283; PubChem:CID145989243
|
Local ready
Direct docking supported
|
|
E3L057353
BDB057353
|
BDBM50467363
Cc1ccc(C2=Nc3c(n[nH]c3C)Nc3nc(N4CCCCC4)ncc32)cc1
|
C21H23N7 373.464000 |
MPSOTLJRIZYQCG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50467363; PubChem:CID145982177
|
Local ready
Direct docking supported
|
|
E3L057354
BDB057354
|
BDBM50467364
COc1ccc(C2=Nc3c(n[nH]c3C)Nc3nc(SC)ncc32)cc1
|
C17H16N6OS 352.423000 |
SJGVDZUEKGHLFJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50467364; PubChem:CID145989138
|
Local ready
Direct docking supported
|
|
E3L057355
BDB057355
|
BDBM50467365
CSc1ncc2c(n1)Nc1n[nH]c(C)c1N=C2c1ccc(Cl)cc1
|
C16H13ClN6S 356.842000 |
YCHBUVVJQCOLGX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50467365; PubChem:CID145989541
|
Local ready
Direct docking supported
|
|
E3L057356
BDB057356
|
BDBM50467366
CSc1ncc2c(n1)Nc1n[nH]c(C)c1N=C2c1ccccc1
|
C16H14N6S 322.397000 |
YXCGTDGQBHHSIT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50467366; PubChem:CID145993477
|
Local ready
Direct docking supported
|
|
E3L057357
BDB057357
|
BDBM50467367
CNc1ncc2c(n1)Nc1n[nH]c(C)c1N=C2c1ccc(C)cc1
|
C17H17N7 319.372000 |
WTCMEZGTRYAQQE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50467367; PubChem:CID145989369
|
Local ready
Direct docking supported
|
|
E3L057358
BDB057358
|
BDBM50467368
CSc1ncc2c(n1)Nc1n[nH]c(C)c1N=C2c1ccc(C)cc1
|
C17H16N6S 336.424000 |
YDPCOTOJRODRFO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50467368; PubChem:CID145993716
|
Local ready
Direct docking supported
|
|
E3L057359
BDB057359
|
BDBM50467369
Cc1ccc(C2=Nc3c(n[nH]c3C)Nc3nc(N4CCOCC4)ncc32)cc1
|
C20H21N7O 375.436000 |
RSYZLOYFJHZIQR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50467369; PubChem:CID145982003
|
Local ready
Direct docking supported
|
|
E3L057360
BDB057360
|
BDBM50467370
CCN(CC)c1ncc2c(n1)Nc1n[nH]c(C)c1N=C2c1ccc(C)cc1
|
C20H23N7 361.453000 |
LVJOSXIHDWKFCU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50467370; PubChem:CID145981644
|
Local ready
Direct docking supported
|