| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L064181
BDB064181
|
4-(Aminomethyl)-1-(3,4-difluorophenyl)pyrrolidin-2-one
NCC1CC(=O)N(c2ccc(F)c(F)c2)C1
|
C11H12F2N2O 226.226000 |
QGNPFXXHTXAAGL-UHFFFAOYSA-N | Q12830 | Nucleosome-remodeling factor subunit BPTF |
BindingDB, PubChem
BindingDB:BDBM50629494; PubChem:CID64209183
|
Local ready
Direct docking supported
|
|
E3L064182
BDB064182
|
BDBM50629495
CC(=O)N1CCc2c(sc(N)c2C#N)C1
|
C10H11N3OS 221.285000 |
ONWFDBVICXATKK-UHFFFAOYSA-N | Q12830 | Nucleosome-remodeling factor subunit BPTF |
BindingDB, PubChem
BindingDB:BDBM50629495; PubChem:CID42281672
|
Local ready
Direct docking supported
|
|
E3L064183
BDB064183
|
BDBM50629496
Cc1ccc(Nc2ccc(N3CCNCC3)nn2)nc1
|
C14H18N6 270.340000 |
HLHBWHJEWQQFDV-UHFFFAOYSA-N | Q12830 | Nucleosome-remodeling factor subunit BPTF |
BindingDB, PubChem
BindingDB:BDBM50629496; PubChem:CID76145106
|
Local ready
Direct docking supported
|
|
E3L064184
BDB064184
|
6-(piperazin-1-yl)-N-(pyridin-2-yl)pyridazin-3-amine
c1ccc(Nc2ccc(N3CCNCC3)nn2)nc1
|
C13H16N6 256.313000 |
NFLQKXPALRVZPE-UHFFFAOYSA-N | Q12830 | Nucleosome-remodeling factor subunit BPTF |
BindingDB, PubChem
BindingDB:BDBM50629497; PubChem:CID76145081
|
Local ready
Direct docking supported
|
|
E3L064185
BDB064185
|
N-(4-fluorophenyl)-6-piperazin-1-ylpyridazin-3-amine
Fc1ccc(Nc2ccc(N3CCNCC3)nn2)cc1
|
C14H16FN5 273.315000 |
NWFHBYSJCZMJFH-UHFFFAOYSA-N | Q12830 | Nucleosome-remodeling factor subunit BPTF |
BindingDB, PubChem
BindingDB:BDBM50629498; PubChem:CID172462938
|
Local ready
Direct docking supported
|
|
E3L064186
BDB064186
|
BDBM50629733
CCC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)CNC(C)=O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)CC
|
C28H53N9O6 611.789000 |
VHLUVJHGVJVBOS-HBSHOIKCSA-N | O96028, Q9BZ95 | Histone-lysine N-methyltransferase NSD3, Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50629733; PubChem:CID172447648
|
Local ready
Direct docking supported
|
|
E3L064187
BDB064187
|
BDBM50629734
Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccncc1
|
C18H20N4 292.386000 |
LYFZPAXTPPYSEC-UHFFFAOYSA-N | Q9BZ95 | Histone-lysine N-methyltransferase NSD3 |
BindingDB, PubChem
BindingDB:BDBM50629734; PubChem:CID138115332
|
Local ready
Direct docking supported
|
|
E3L064188
BDB064188
|
BDBM50629735
Cc1noc(C)c1-c1ncn(C)c1-c1ccnc2cc(F)ccc12
|
C18H15FN4O 322.343000 |
FOQLCYIBXICLES-UHFFFAOYSA-N | Q9BZ95 | Histone-lysine N-methyltransferase NSD3 |
BindingDB, PubChem
BindingDB:BDBM50629735; PubChem:CID138115348
|
Local ready
Direct docking supported
|
|
E3L064189
BDB064189
|
BDBM50629736
Cc1cc(CNCCCC(=O)NCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@@H](O)C[C@@H]2C(=O)N[C@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)cc(C)c1-c1ncn(C)c1-c1ccnc2cc(F)ccc12
|
C58H74FN9O5S 1028.353000 |
RWXCSOWWDBANDF-YOWUPJJWSA-N | Q9BZ95 | Histone-lysine N-methyltransferase NSD3 |
BindingDB
BindingDB:BDBM50629736
|
Local ready
Direct docking supported
|
|
E3L064190
BDB064190
|
BDBM50629737
O=C(NCCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1cc2ccccc2c(=O)o1
|
C35H34N6O5S2 682.828000 |
YLIXLTMOWMXIPA-UHFFFAOYSA-N | O96028, Q96L73, Q9BZ95 | Histone-lysine N-methyltransferase, H3 lysine-36 specific, Histone-lysine N-methyltransferase NSD2, Histone-lysine N-methyltransferase NSD3 |
BindingDB, PubChem
BindingDB:BDBM50629737; PubChem:CID137796293
|
Local ready
Direct docking supported
|
|
E3L064191
BDB064191
|
BDBM50629810
Cc1cc(Nc2nc(-c3ccccc3N)nc3cc(N4CCN(C)CC4)ccc23)n[nH]1
|
C23H26N8 414.517000 |
XCNUHOZLIZTBDF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50629810; PubChem:CID166517363
|
Local ready
Direct docking supported
|
|
E3L064192
BDB064192
|
BDBM50629811
Cc1cc(Nc2nc(-c3cccc(N)c3)nc3cc(N4CCN(C)CC4)ccc23)n[nH]1
|
C23H26N8 414.517000 |
MYRCZSDEZNTXOB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50629811; PubChem:CID172467417
|
Local ready
Direct docking supported
|
|
E3L064193
BDB064193
|
BDBM50629812
Cc1cc(Nc2nc(-c3ccc(N)cc3)nc3cc(N4CCN(C)CC4)ccc23)n[nH]1
|
C23H26N8 414.517000 |
OFBIREAQYVNBGM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50629812; PubChem:CID172447708
|
Local ready
Direct docking supported
|
|
E3L064194
BDB064194
|
BDBM50629813
Cc1cc(Nc2nc(-c3ccccc3O)nc3cc(N4CCN(C)CC4)ccc23)n[nH]1
|
C23H25N7O 415.501000 |
JZIOQOPJEWIKLM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50629813; PubChem:CID172458423
|
Local ready
Direct docking supported
|
|
E3L064195
BDB064195
|
BDBM50629814
Cc1cc(Nc2nc(-c3cccc(O)c3)nc3cc(N4CCN(C)CC4)ccc23)n[nH]1
|
C23H25N7O 415.501000 |
HNEZIZNFSQAJCL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50629814; PubChem:CID172445793
|
Local ready
Direct docking supported
|
|
E3L064196
BDB064196
|
BDBM50629815
Cc1cc(Nc2nc(-c3ccc(O)cc3)nc3cc(N4CCN(C)CC4)ccc23)n[nH]1
|
C23H25N7O 415.501000 |
LGFCXFOLVMPSMW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50629815; PubChem:CID172450602
|
Local ready
Direct docking supported
|
|
E3L064197
BDB064197
|
BDBM50629816
C=CC(=O)Nc1ccccc1-c1nc(Nc2cc(C)[nH]n2)c2ccc(N3CCN(C)CC3)cc2n1
|
C26H28N8O 468.565000 |
DTWYPJJCOWQNIW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50629816; PubChem:CID166517357
|
Local ready
Direct docking supported
|
|
E3L064198
BDB064198
|
BDBM50629817
C=CC(=O)Nc1cccc(-c2nc(Nc3cc(C)[nH]n3)c3ccc(N4CCN(C)CC4)cc3n2)c1
|
C26H28N8O 468.565000 |
CXLKFIKCHUFPKF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50629817; PubChem:CID172439753
|
Local ready
Direct docking supported
|
|
E3L064199
BDB064199
|
Aurora Kinases-IN-4
C=CC(=O)Nc1ccc(-c2nc(Nc3cc(C)[nH]n3)c3ccc(N4CCN(C)CC4)cc3n2)cc1
|
C26H28N8O 468.565000 |
VXYSKFCQDLEGDW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50629818; PubChem:CID166517368
|
Local ready
Direct docking supported
|
|
E3L064200
BDB064200
|
BDBM50629819
C=CC(=O)Nc1cc(-c2nc(Nc3cc(C)[nH]n3)c3ccc(N4CCN(C)CC4)cc3n2)ccc1C
|
C27H30N8O 482.592000 |
KYYOVUKZKSMTJK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50629819; PubChem:CID172453503
|
Local ready
Direct docking supported
|