| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L061281
BDB061281
|
BDBM50579063
O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(c4ccc(C(F)(F)F)cc4)CC3)c(O)cc(O)c12
|
C27H23F3N2O5 512.484000 |
GAWZJNRMERTOIL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579063; PubChem:CID164623253
|
Local ready
Direct docking supported
|
|
E3L061282
BDB061282
|
BDBM50579064
O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(c4ccc(F)cc4)CC3)c(O)cc(O)c12
|
C26H23FN2O5 462.477000 |
WEOTVKBFAIOWQK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579064; PubChem:CID164624442
|
Local ready
Direct docking supported
|
|
E3L061283
BDB061283
|
BDBM50579065
O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(c4cncnc4)CC3)c(O)cc(O)c12
|
C24H22N4O5 446.463000 |
FKVHDFTTYJQKSR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579065; PubChem:CID164620755
|
Local ready
Direct docking supported
|
|
E3L061284
BDB061284
|
BDBM50579066
COC(=O)C1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1
|
C23H23NO7 425.437000 |
PICZDBVDXARDKR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579066; PubChem:CID164624756
|
Local ready
Direct docking supported
|
|
E3L061285
BDB061285
|
BDBM50579067
CCOC(=O)C1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1
|
C24H25NO7 439.464000 |
KHTYUQMITQHDQX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579067; PubChem:CID164617508
|
Local ready
Direct docking supported
|
|
E3L061286
BDB061286
|
BDBM50579068
O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCC(c4ccccc4)CC3)c(O)cc(O)c12
|
C27H25NO5 443.499000 |
YGFJBOYRLFMCSC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579068; PubChem:CID164623171
|
Local ready
Direct docking supported
|
|
E3L061287
BDB061287
|
BDBM50579069
O=C(c1cccc(F)c1F)C1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1
|
C28H23F2NO6 507.489000 |
KYAONXACBFSKCA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579069; PubChem:CID164615816
|
Local ready
Direct docking supported
|
|
E3L061288
BDB061288
|
BDBM50579070
O=c1cc(-c2ccc(O)cc2)oc2c(CN3CC=C(c4ccccc4)CC3)c(O)cc(O)c12
|
C27H23NO5 441.483000 |
ZJKKQVGAKVFNRG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579070; PubChem:CID164627929
|
Local ready
Direct docking supported
|
|
E3L061289
BDB061289
|
BDBM50579463
CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccc(F)cc4)cc3)ncnc2c1
|
C24H22FN5O2 431.471000 |
LANMWHOVTHYIFD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50579463; PubChem:CID164617343
|
Local ready
Direct docking supported
|
|
E3L061290
BDB061290
|
BDBM50579464
O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3cc(F)ccc23)s1
|
C20H16ClFN6OS 442.907000 |
LPQVMJBOZXWART-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50579464; PubChem:CID164622311
|
Local ready
Direct docking supported
|
|
E3L061291
BDB061291
|
BDBM50579465
COc1ccc2c(NCCc3cnc(NC(=O)Nc4cccc(Cl)c4)s3)ncnc2c1
|
C21H19ClN6O2S 454.943000 |
HJKIGCOQVAUXEZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50579465; PubChem:CID164618047
|
Local ready
Direct docking supported
|
|
E3L061292
BDB061292
|
BDBM50579480
COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cc1
|
C24H23N5O3 429.480000 |
RTWJZWFAMFOLDK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50579480; PubChem:CID155206373
|
Local ready
Direct docking supported
|
|
E3L061293
BDB061293
|
BDBM50579499
CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccc(C(F)(F)F)nc4)cc3)ncnc2c1
|
C24H21F3N6O2 482.466000 |
ORYMWWSJZRCUSV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50579499; PubChem:CID155195529
|
Local ready
Direct docking supported
|
|
E3L061294
BDB061294
|
Bpr-1K871
CN(C)CCCOc1ccc2c(NCCc3cnc(NC(=O)Nc4cccc(Cl)c4)s3)ncnc2c1
|
C25H28ClN7O2S 526.066000 |
MMVLETOTGHDVPQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50579500; PubChem:CID126970666
|
Local ready
Direct docking supported
|
|
E3L061295
BDB061295
|
BDBM50579712
COc1ccc2c(c1)N(CCC/C=C\c1cccc3c1N[C@H](C)CC(=O)N3)CCC2
|
C25H31N3O2 405.542000 |
VBTDHMQUNCGCSZ-MPYGFJLXSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50579712; PubChem:CID166635257
|
Local ready
Direct docking supported
|
|
E3L061296
BDB061296
|
BDBM50579713
COc1ccc2c(c1)N(CCCC#Cc1cccc3c1N[C@H](C)CC(=O)N3)CCC2
|
C25H29N3O2 403.526000 |
BDAIQDRMTRKUET-GOSISDBHSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50579713; PubChem:CID166633504
|
Local ready
Direct docking supported
|
|
E3L061297
BDB061297
|
BDBM50579714
COc1ccc2c(c1)N(CCCNC(=O)c1cccc3c1N[C@H](C)CC(=O)N3)CCC2
|
C24H30N4O3 422.529000 |
XZQSPHYHBYGJPB-MRXNPFEDSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50579714; PubChem:CID146035913
|
Local ready
Direct docking supported
|
|
E3L061298
BDB061298
|
BDBM50579715
COc1ccc2c(c1)N(CCC/C=C/c1cccc3c1N[C@H](C)CC(=O)N3)CCC2
|
C25H31N3O2 405.542000 |
VBTDHMQUNCGCSZ-SBLNNXNXSA-N | Q09472, Q92793 | Histone acetyltransferase p300, CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50579715; PubChem:CID146035914
|
Local ready
Direct docking supported
|
|
E3L061299
BDB061299
|
BDBM50579716
COc1ccc2c(c1)N(CCCNC(=O)c1cccc3c1NCC(C)C(=O)N3)CCC2
|
C24H30N4O3 422.529000 |
ITTYEDHGQJPMFI-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50579716; PubChem:CID166626167
|
Local ready
Direct docking supported
|
|
E3L061300
BDB061300
|
BDBM50579717
COc1ccc2c(c1)N(CCCNC(=O)c1cccc3c1N[C@@H](C)CC(=O)N3)CCC2
|
C24H30N4O3 422.529000 |
XZQSPHYHBYGJPB-INIZCTEOSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50579717; PubChem:CID166626522
|
Local ready
Direct docking supported
|