| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045481
BDB045481
|
BDBM50081166
[C][C]([C])[C]N1C(=O)C(=[C]c2ccc([O])c([O])c2)C(=O)N([C][C]([C])[C])C1=O
|
C19H3N2O5 339.242000 |
SGQXMWLCZULDRH-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50081166
|
Local ready
Direct docking supported
|
|
E3L045482
BDB045482
|
BDBM50081167
[C]Oc1ccc([C]=C2C(=O)N([C][C]([C])[C])C(=O)N([C][C]([C])[C])C2=O)cc1[O]
|
C20H3N2O5 351.253000 |
JRBYPABWWWITSC-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50081167
|
Local ready
Direct docking supported
|
|
E3L045483
BDB045483
|
BDBM50081168
[C]Oc1cc([C]=C2C(=O)N([C][C]([C])[C])C(=O)N([C][C]([C])[C])C2=O)ccc1[O]
|
C20H3N2O5 351.253000 |
VEVWGQAJGSKFRK-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50081168
|
Local ready
Direct docking supported
|
|
E3L045484
BDB045484
|
BDBM50081169
[C]Oc1cc([C]=C2C(=O)N([C][C]=[C])C(=O)N([C][C]=[C])C2=O)ccc1[O]
|
C18H3N2O5 327.231000 |
CPAGDZFUODTGCB-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50081169
|
Local ready
Direct docking supported
|
|
E3L045485
BDB045485
|
BDBM50081170
CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\Cc1ccc(Cc2cc(C)c(C)cc2[N+](=O)[O-])o1
|
C26H23N3O6 473.485000 |
AYQYIBVVCJFCAE-KSEXSDGBSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50081170; PubChem:CID118735320
|
Local ready
Direct docking supported
|
|
E3L045486
BDB045486
|
5-Benzoyl-1,3-dibenzyl-1,3-diazinane-2,4,6-trione
O=C(c1ccccc1)C1C(=O)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)C1=O
|
C25H20N2O4 412.445000 |
ILBMLQVDTUJJKC-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50081171; PubChem:CID118735269
|
Local ready
Direct docking supported
|
|
E3L045487
BDB045487
|
1,3,5-Tribenzyl-1,3-diazinane-2,4,6-trione
O=C1C(Cc2ccccc2)C(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
|
C25H22N2O3 398.462000 |
SFFBIIMMBIRGKT-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50081172; PubChem:CID268735
|
Local ready
Direct docking supported
|
|
E3L045488
BDB045488
|
AZ191
COc1cc(N2CCN(C)CC2)ccc1Nc1nccc(-c2cn(C)c3cnccc23)n1
|
C24H27N7O 429.528000 |
ZYVXTMKTGDARKR-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50081174; PubChem:CID72716071
|
Local ready
Direct docking supported
|
|
E3L045489
BDB045489
|
BDBM50081222
CC(C)(Oc1ccc(CCN(C(=O)Nc2ccc(F)cc2F)C2CCCCCC2)cc1)C(=O)O
|
C26H32F2N2O4 474.548000 |
KFQNDBBADLHQCZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50081222; PubChem:CID10743135
|
Local ready
Direct docking supported
|
|
E3L045490
BDB045490
|
BDBM50081223
CCCCCCCN(CCc1ccc(OC(C)(C)C(=O)O)cc1)C(=O)Nc1ccc(F)cc1F
|
C26H34F2N2O4 476.564000 |
BZPYOMQCTNFFHL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50081223; PubChem:CID9847836
|
Local ready
Direct docking supported
|
|
E3L045491
BDB045491
|
BDBM50081224
CC(C)(Oc1ccc(CCN(CCCCCC2CCCCC2)C(=O)Nc2ccc(F)cc2)cc1)C(=O)O
|
C30H41FN2O4 512.666000 |
VVLHLZMVXTZBDF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50081224; PubChem:CID44348875
|
Local ready
Direct docking supported
|
|
E3L045492
BDB045492
|
BDBM50081225
CCCCCCCN(CCc1ccc(OC(C)(C)C(=O)O)cc1)C(=O)Nc1ccc(F)cc1
|
C26H35FN2O4 458.574000 |
JZVKMPJMTAXOBC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50081225; PubChem:CID11826628
|
Local ready
Direct docking supported
|
|
E3L045493
BDB045493
|
BDBM50081537
O=C(N[C@@H](c1ccccn1)C1CC1)c1ccc2[nH]nc(-c3ccc(N4[C@H]5CC[C@H]4CC(O)C5)cc3)c2c1
|
C30H31N5O2 493.611000 |
DUKJABPGWUISRC-SBZVUBOMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50081537; PubChem:CID118735390
|
Local ready
Direct docking supported
|
|
E3L045494
BDB045494
|
BDBM50081553
O=C(CC1(N2CCOCC2)CCCCC1)Nc1ccc2[nH]nc(-c3ccc(N4CCOCC4)cc3)c2c1
|
C29H37N5O3 503.647000 |
WRAAWGXBFIGQKT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50081553; PubChem:CID118735385
|
Local ready
Direct docking supported
|
|
E3L045495
BDB045495
|
BDBM50081554
O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc2[nH]nc(-c3ccc(N4CCOCC4)cc3)c2c1
|
C29H37N5O3 503.647000 |
WROHCHCGJIWAPG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50081554; PubChem:CID117738442
|
Local ready
Direct docking supported
|
|
E3L045496
BDB045496
|
BDBM50081555
CN1CCC(Oc2ccc(-c3n[nH]c4ccc(NC(=O)C(c5ccsc5)C5CCCC5)cc34)cc2)CC1
|
C30H34N4O2S 514.695000 |
VKUZMCHROLFMPL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50081555; PubChem:CID89501535
|
Local ready
Direct docking supported
|
|
E3L045497
BDB045497
|
BDBM50081556
CN1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)NC(c5ccsc5)C5CCCC5)cc34)cc2)CC1
|
C30H34N4O2S 514.695000 |
AMISYPQMTJLNGZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50081556; PubChem:CID89971805
|
Local ready
Direct docking supported
|
|
E3L045498
BDB045498
|
BDBM50081557
CN1CCC(Oc2ccc(-c3n[nH]c4ccc(NC(=O)C(c5ccccn5)C5CCCC5)cc34)cc2)CC1
|
C31H35N5O2 509.654000 |
CQOOBCLBMYGVDE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50081557; PubChem:CID86711057
|
Local ready
Direct docking supported
|
|
E3L045499
BDB045499
|
BDBM50081558
CN1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)NC(c5ccccn5)C5CCCC5)cc34)cc2)CC1
|
C31H35N5O2 509.654000 |
KTPMQAQBFZCIRN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50081558; PubChem:CID89971850
|
Local ready
Direct docking supported
|
|
E3L045500
BDB045500
|
BDBM50082128
N#Cc1c(N)[nH]c2ccc(Oc3ccc(NC(=O)[C@@H](N)CO)cc3)cc12
|
C18H17N5O3 351.366000 |
COLOVWUHIINYEF-HNNXBMFYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50082128; PubChem:CID58619539
|
Local ready
Direct docking supported
|