| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L058601
BDB058601
|
BDBM50513363
Cn1cc(CN2CCC(c3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)cn1
|
C20H22N8O 390.451000 |
JJUBVVYZQHPFMF-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50513363; PubChem:CID155540572
|
Local ready
Direct docking supported
|
|
E3L058602
BDB058602
|
BDBM50513364
CC(C)N1CCC(c2cnn(-c3nccc4c(=O)[nH]cnc34)c2)CC1
|
C18H22N6O 338.415000 |
WXDMSMYTZQAHRC-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50513364; PubChem:CID155525082
|
Local ready
Direct docking supported
|
|
E3L058603
BDB058603
|
BDBM50513365
CCN1CCC(c2cnn(-c3nccc4c(=O)[nH]cnc34)c2)CC1
|
C17H20N6O 324.388000 |
CLDDHWNJFOWJLH-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50513365; PubChem:CID155558505
|
Local ready
Direct docking supported
|
|
E3L058604
BDB058604
|
BDBM50513366
Cc1ccc(C)c2c1CCC21CCN(CCc2cnn(-c3nccc4c(=O)[nH]cnc34)c2)CC1
|
C27H30N6O 454.578000 |
YAWHCFISAFZXHF-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50513366; PubChem:CID155510907
|
Local ready
Direct docking supported
|
|
E3L058605
BDB058605
|
BDBM50513367
O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccc(-c6cccnc6)cc5)CC4)cn3)nccc12
|
C28H27N7O 477.572000 |
JRDMCDIQZVMPPB-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50513367; PubChem:CID138753208
|
Local ready
Direct docking supported
|
|
E3L058606
BDB058606
|
BDBM50513368
O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccc(-c6ccccn6)cc5)CC4)cn3)nccc12
|
C28H27N7O 477.572000 |
IHCQQEZDLLAALX-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50513368; PubChem:CID155563296
|
Local ready
Direct docking supported
|
|
E3L058607
BDB058607
|
BDBM50513369
O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(CN6CCOCC6)c5)CC4)cn3)nccc12
|
C28H33N7O2 499.619000 |
JKWOFYNSPFBQLX-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50513369; PubChem:CID155550806
|
Local ready
Direct docking supported
|
|
E3L058608
BDB058608
|
BDBM50513370
O=c1[nH]cnc2c(-n3cc(C4CCN(C5CCCC5)CC4)cn3)nccc12
|
C20H24N6O 364.453000 |
XYBBSEAKIBCXQV-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50513370; PubChem:CID138393339
|
Local ready
Direct docking supported
|
|
E3L058609
BDB058609
|
BDBM50513371
O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccc(-c6cncnc6)cc5)CC4)cn3)nccc12
|
C27H26N8O 478.560000 |
JMAUMLMBIAXZPR-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50513371; PubChem:CID155512849
|
Local ready
Direct docking supported
|
|
E3L058610
BDB058610
|
BDBM50513372
O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(CCN6CCOCC6)c5)CC4)cn3)nccc12
|
C29H35N7O2 513.646000 |
MQVSMJMODJEBMM-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50513372; PubChem:CID155514456
|
Local ready
Direct docking supported
|
|
E3L058611
BDB058611
|
BDBM50513373
COc1cccc(C2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)c1
|
C24H26N6O2 430.512000 |
VCITXXCATLNLDE-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50513373; PubChem:CID155549007
|
Local ready
Direct docking supported
|
|
E3L058612
BDB058612
|
BDBM50513374
O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccc(CCN6CCOCC6)cc5)CC4)cn3)nccc12
|
C29H35N7O2 513.646000 |
NLYFSJWBMSCWSU-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50513374; PubChem:CID138753209
|
Local ready
Direct docking supported
|
|
E3L058613
BDB058613
|
BDBM50513375
O=c1[nH]cnc2c(-n3cc(CCN4CCC5(CC4)OCc4ccccc45)cn3)nccc12
|
C24H24N6O2 428.496000 |
WMPDPRRYFWPZOM-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50513375; PubChem:CID155530704
|
Local ready
Direct docking supported
|
|
E3L058614
BDB058614
|
BDBM50513788
Cc1ccc2c(c1)nc(CCN1C(=O)c3cccc4cccc(c34)C1=O)n2-c1ccncc1
|
C27H20N4O2 432.483000 |
VFDVYUMIEWOVJX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50513788; PubChem:CID137700779
|
Local ready
Direct docking supported
|
|
E3L058615
BDB058615
|
BDBM50513901
CCN1CCCC2CN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC21
|
C25H27FN4O2 434.515000 |
CFIPXNYLHIQJRA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50513901; PubChem:CID56833017
|
Local ready
Direct docking supported
|
|
E3L058616
BDB058616
|
BDBM50513902
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc2c1OCC2)N1CCn2c(nnc2C(F)(F)F)C1
|
C24H19F3N6O3 496.449000 |
RAKJJGRLZIJAPR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50513902
|
Local ready
Direct docking supported
|
|
E3L058617
BDB058617
|
BDBM50513903
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2C2CC2)C1
|
C24H21FN6O2 444.470000 |
UUNBHBUJDBZYPS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50513903; PubChem:CID141420190
|
Local ready
Direct docking supported
|
|
E3L058618
BDB058618
|
BDBM50513904
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CC2C(=O)N(Cc3ccccc3)C(=O)C2C1
|
C29H23FN4O4 510.525000 |
LYGWPFCEKCAXRN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50513904; PubChem:CID76683569
|
Local ready
Direct docking supported
|
|
E3L058619
BDB058619
|
BDBM50513905
Cc1cc(Nc2nn(C(C)C)c(=O)c3cc(OCCN4CCOCC4)ccc23)n[nH]1
|
C21H28N6O3 412.494000 |
HWBBVGKLCBLJGG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50513905; PubChem:CID11668744
|
Local ready
Direct docking supported
|
|
E3L058620
BDB058620
|
BDBM50513910
O=C(CCCn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1cccc(Cl)c1
|
C24H20ClN3O2 417.896000 |
ZOUVKUQPPAJNCP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50513910; PubChem:CID155522032
|
Local ready
Direct docking supported
|