| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000881
BDB000881
|
Pyrazoloquinazoline deriv., 22
COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC(CCO)CC1
|
C30H35F2N7O4 595.651000 |
KGXUJVJQAAUOTC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM26288; PubChem:CID10312249
|
Local ready
Direct docking supported
|
|
E3L000882
BDB000882
|
Pyrazoloquinazoline deriv., 23
COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCN1CCC[C@@H]1CO
|
C28H32FN7O4 549.607000 |
SQYOZDZCDXQDRZ-OAQYLSRUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM26289; PubChem:CID10311867
|
Local ready
Direct docking supported
|
|
E3L000883
BDB000883
|
Pyrazoloquinazoline deriv., 24
COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCNCCO
|
C25H28FN7O4 509.542000 |
KSAUSYLGKMZHPT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM26290; PubChem:CID10128386
|
Local ready
Direct docking supported
|
|
E3L000884
BDB000884
|
Pyrazoloquinazoline deriv., 25
COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCN(C)CCO
|
C26H30FN7O4 523.569000 |
RGCULYFIEIGHSJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM26291; PubChem:CID9958417
|
Local ready
Direct docking supported
|
|
E3L000885
BDB000885
|
BDBM26292
CCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)c2cc1OC
|
C27H32FN7O4 537.596000 |
HOHHMYNNRAVKQB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM26292; PubChem:CID10239608
|
Local ready
Direct docking supported
|
|
E3L000886
BDB000886
|
Pyrazoloquinazoline deriv., 27
CCCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)c2cc1OC
|
C28H34FN7O4 551.623000 |
JCXULQAGBNATOH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM26293; PubChem:CID10311891
|
Local ready
Direct docking supported
|
|
E3L000887
BDB000887
|
BDBM26294
CCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)c2cc1OC
|
C27H31F2N7O4 555.586000 |
YOZAGBCKIMCHID-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM26294; PubChem:CID10239769
|
Local ready
Direct docking supported
|
|
E3L000888
BDB000888
|
BDBM26295
CCCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)c2cc1OC
|
C28H33F2N7O4 569.613000 |
ARQPPPCSTGSCQR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM26295; PubChem:CID10239891
|
Local ready
Direct docking supported
|
|
E3L000889
BDB000889
|
BDBM26296
COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN(CCO)CC(C)C
|
C29H35F2N7O4 583.640000 |
GTEPNHLYGWAOMI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM26296; PubChem:CID10196758
|
Local ready
Direct docking supported
|
|
E3L000890
BDB000890
|
BDBM26297
CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2c1
|
C26H29F2N7O3 525.560000 |
CNWZWPQCJCOBHA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM26297; PubChem:CID16221341
|
Local ready
Direct docking supported
|
|
E3L000891
BDB000891
|
Pyrazoloquinazoline deriv., 32
CCCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2c1
|
C27H31F2N7O3 539.587000 |
JZNXPJAWGWXJFX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM26298; PubChem:CID16221342
|
Local ready
Direct docking supported
|
|
E3L000892
BDB000892
|
Pyrazoloquinazoline deriv., 33
O=C(Cc1cc(Nc2ncnc3cc(OCCCN4CCC[C@@H]4CO)ccc23)[nH]n1)Nc1cccc(F)c1F
|
C27H29F2N7O3 537.571000 |
ZNGNLXZBVWXEKM-GOSISDBHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM26299; PubChem:CID16221343
|
Local ready
Direct docking supported
|
|
E3L000893
BDB000893
|
Defosbarasertib
CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
|
C26H30FN7O3 507.570000 |
QYZOGCMHVIGURT-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Aurora kinase A, Interleukin-1 receptor-associated kinase 1, Mitogen-activated protein kinase kinase kinase 1, Serine/threonine-protein kinase LATS1, Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM26300; PubChem:CID16007391
|
Local ready
Direct docking supported
|
|
E3L000894
BDB000894
|
BDBM26301
CCCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
|
C27H32FN7O3 521.597000 |
XQWUFPUUHVVAIM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM26301; PubChem:CID16221393
|
Local ready
Direct docking supported
|
|
E3L000895
BDB000895
|
BDBM26302
O=C(Cc1cc(Nc2ncnc3cc(OCCCN4CCC[C@@H]4CO)ccc23)[nH]n1)Nc1cccc(F)c1
|
C27H30FN7O3 519.581000 |
WWZCTHYYRVAJIG-OAQYLSRUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM26302; PubChem:CID16221394
|
Local ready
Direct docking supported
|
|
E3L000896
BDB000896
|
4-Aminopyrazole quinazoline, 3
COc1cc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)ncnc2cc1OCCCN1CCC[C@@H]1CO
|
C28H31F2N7O4 567.597000 |
YFGMURZUSPAEJH-LJQANCHMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM26303; PubChem:CID25138093
|
Local ready
Direct docking supported
|
|
E3L000897
BDB000897
|
4-Aminopyrazole quinazoline, 4
CCN(CCO)CCCOc1cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)c2cc1OC
|
C27H31F2N7O4 555.586000 |
NYOGIGBHKYKOEE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM26304; PubChem:CID25138094
|
Local ready
Direct docking supported
|
|
E3L000898
BDB000898
|
4-Aminopyrazole quinazoline, 5
COc1cc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)ncnc2cc1OCCCN1CCC[C@@H]1CO
|
C28H32FN7O4 549.607000 |
ACDXDLIQFJBPHN-JOCHJYFZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM26305; PubChem:CID11330284
|
Local ready
Direct docking supported
|
|
E3L000899
BDB000899
|
4-Aminopyrazole quinazoline, 6
CCN(CCO)CCCOc1cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)c2cc1OC
|
C27H32FN7O4 537.596000 |
QFNBIMZYKKIEQO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM26306; PubChem:CID11249657
|
Local ready
Direct docking supported
|
|
E3L000900
BDB000900
|
4-Aminopyrazole quinazoline, 7
O=C(Cn1cc(Nc2ncnc3cc(OCCCN4CCC[C@@H]4CO)ccc23)cn1)Nc1cccc(F)c1
|
C27H30FN7O3 519.581000 |
YWFBQHGACULOLS-JOCHJYFZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM26307; PubChem:CID25138095
|
Local ready
Direct docking supported
|