| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L065421
BDB065421
|
BDBM50652776
CCOC(=O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2cccnc2)n1
|
C24H27N5O2 417.513000 |
LQPGVGSKBNXQDU-UHFFFAOYSA-N | P29375, P41229, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 5C, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM50652776; PubChem:CID78243729
|
Local ready
Direct docking supported
|
|
E3L065422
BDB065422
|
BDBM50652789
CNC(=O)Nc1ccc2c(c1)[C@@]1(CC2)OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(F)(F)F)C1=O
|
C25H24F4N4O5 536.482000 |
MTTJOZOOUCZVHO-LFPIHBKWSA-N | Q09472, Q92793 | Histone acetyltransferase p300, CREB-binding protein |
BindingDB
BindingDB:BDBM50652789
|
Local ready
Direct docking supported
|
|
E3L065423
BDB065423
|
BDBM50652790
NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)SC(=C3CCCCC3)C2=O)cc1
|
C17H19N3O5S2 409.489000 |
DGTNEKCXLFBLTR-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50652790; PubChem:CID7221088
|
Local ready
Direct docking supported
|
|
E3L065424
BDB065424
|
BDBM50652791
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)OC2(CCc3cc(NC(=O)C(C)(C)N)ccc32)C1=O
|
C29H34N4O5 518.614000 |
RYMUHOTVPABKKH-STFFIMJZSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50652791; PubChem:CID162670025
|
Local ready
Direct docking supported
|
|
E3L065425
BDB065425
|
BDBM50652792
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
|
C26H20F3N7O 503.488000 |
ZCCPLJOKGAACRT-UHFFFAOYSA-N | O14965, O15143, O43684, O75083, O94822, O95835, P09874, P31146, P35606, P35637, P51617, P51948, P53621, P61962, P61964, P62877, P63151, P63244, Q05086, Q09028, Q12788, Q12933, Q13233, Q13263, Q13309, Q13347, Q13616, Q13618, Q13620, Q14258, Q14839, Q15291, Q15369, Q15386, Q16531, Q5T4S7, Q63HN8, Q6R327, Q86TM6, Q8TEQ6, Q8WZ60, Q92844, Q93034, Q99942, Q9GZL7, Q9H0A0, Q9HC35, Q9NRL2 | WD repeat-containing protein 1, S-phase kinase-associated protein 2, Rapamycin-insensitive companion of mTOR, Cullin-4B, Retinoblastoma-binding protein 5, RNA cytidine acetyltransferase, WD repeat-containing protein 5, E3 ubiquitin-protein ligase RNF213, Aurora kinase A, Ubiquitin-protein ligase E3A, Chromodomain-helicase-DNA-binding protein 4, Eukaryotic translation initiation factor 3 subunit I, Coatomer subunit alpha, Serine/threonine-protein kinase LATS1, Cullin-1, CDK-activating kinase assembly factor MAT1, E3 ubiquitin-protein ligase synoviolin, Mitogen-activated protein kinase kinase kinase 1, E3 ubiquitin-protein ligase listerin, Actin-related protein 2/3 complex subunit 1B, Gem-associated protein 5, E3 ubiquitin-protein ligase RBX1, Coronin-1A, Elongin-C, Poly [ADP-ribose] polymerase 1, DDB1- and CUL4-associated factor 7, Ubiquitin-protein ligase E3C, Transducin beta-like protein 3, TRAF family member-associated NF-kappa-B activator, Kelch-like protein 6, Small ribosomal subunit protein RACK1, Bromod |
BindingDB, PubChem
BindingDB:BDBM50652792; PubChem:CID16747388
|
Local ready
Direct docking supported
|
|
E3L065426
BDB065426
|
NVP-BHG712 isomer
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
|
C26H20F3N7O 503.488000 |
MWKSRKSEWLRPBL-UHFFFAOYSA-N | O14965, O15143, O43684, O75083, O75592, O94822, O94874, O95835, P09874, P09936, P31146, P35606, P35637, P49792, P51617, P51948, P53621, P55735, P61962, P61964, P62873, P63151, P78406, Q01518, Q09028, Q12873, Q12933, Q13042, Q13064, Q13233, Q13263, Q13309, Q13347, Q13409, Q13501, Q13616, Q13617, Q13618, Q14139, Q14258, Q14839, Q15257, Q15369, Q15370, Q15386, Q15843, Q16531, Q16576, Q5T4S7, Q63HN8, Q6UXN9, Q6ZNB6, Q7Z5L9, Q7Z6Z7, Q86TM6, Q8IWR1, Q8N5U6, Q8NI36, Q8TEQ6, Q8WUA4, Q92844, Q92900, Q96J02, Q9BVC4, Q9BZK7, Q9C037, Q9C0J8, Q9H0A0, Q9NRL2 | Gem-associated protein 5, Ubiquitin conjugation factor E4 A, Elongin-C, Transcription intermediary factor 1-beta, Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B alpha isoform, Histone-binding protein RBBP7, mRNA export factor RAE1, TNF receptor-associated factor 2, E3 UFM1-protein ligase 1, Cullin-2, Ubiquitin-protein ligase E3C, Ubiquitin-like protein NEDD8, Coatomer subunit alpha, Chromodomain-helicase-DNA-binding protein 3, Regulator of nonsense transcripts 1, Poly [ADP-ribose] polymerase 1, Cullin-1, Serine/threonine-protein phosphatase 2A activator, Mitogen-activated protein kinase kinase kinase 1, Bromodomain adjacent to zinc finger domain protein 1A, WD repeat-containing protein 1, WD repeat-containing protein 5, E3 ubiquitin-protein ligase HUWE1, DDB1- and CUL4-associated factor 7, CDK-activating kinase assembly factor MAT1, S-phase kinase-associated protein 2, E3 ubiquitin-protein ligase MYCBP2, E3 ubiquitin-protein ligase makorin-3, E3 ubiquitin-protein ligase listerin, RNA-bind |
BindingDB, PubChem
BindingDB:BDBM50652793; PubChem:CID117602383
|
Local ready
Direct docking supported
|
|
E3L065427
BDB065427
|
BDBM50652797
Nc1nccn2c1c(-c1cc3cccc(Cl)c3[nH]1)nc2[C@H]1CC[C@H](C(=O)O)CC1
|
C21H20ClN5O2 409.877000 |
UXCAKZGNKOZXBM-HAQNSBGRSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50652797
|
Local ready
Direct docking supported
|
|
E3L065428
BDB065428
|
Allitinib
C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
|
C24H18ClFN4O2 448.885000 |
MVZGYPSXNDCANY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50652893; PubChem:CID24739943
|
Local ready
Direct docking supported
|
|
E3L065429
BDB065429
|
BDBM50652900
C[C@H]1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1C(=O)N1CC2CC2C1
|
C22H28N4O3 396.491000 |
CKFRXCBNKKOFGO-IGEOTXOUSA-N | O14965, P51617 | Aurora kinase A, Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50652900; PubChem:CID137499231
|
Local ready
Direct docking supported
|
|
E3L065430
BDB065430
|
BDBM50652922
N[C@H]1CC[C@H](S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)c2cc(C4CC4)on2)C3)CC1
|
C20H30N4O4S 422.551000 |
JYZQPJRVTADXNE-BSBCAUIJSA-N | O96028, Q96L73 | Histone-lysine N-methyltransferase, H3 lysine-36 specific, Histone-lysine N-methyltransferase NSD2 |
BindingDB
BindingDB:BDBM50652922
|
Local ready
Direct docking supported
|
|
E3L065431
LIG000001
|
5
NCCC1CC(Nc2cc(N3C4CCC3CN(c3cc(-c5ccccc5O)nnc3N)C4)ccn2)C1
|
C27H34N8O 486.624000 |
AAGIRJWUBURKFT-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1315
|
Local ready
Direct docking supported
|
|
E3L065432
LIG000002
|
L12
CCOC(=O)C1CCCN(C(=O)c2nn(-c3ccccc3)c(=O)n(Cc3ccccc3)c2=O)C1
|
C25H26N4O5 462.506000 |
AAKPCYWWZNMYQC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB494
|
Local ready
Direct docking supported
|
|
E3L065433
LIG000003
|
19
O=C1CCC(N2Cc3cc(CNC(=O)Nc4c(Cl)cccc4Cl)ccc3C2=O)C(=O)N1
|
C21H18Cl2N4O4 461.305000 |
AAOMGRBYWFVYQE-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1184
|
Local ready
Direct docking supported
|
|
E3L065434
LIG000004
|
cpmd 1
O=C1CCC(N2Cc3cc(C4CC4)ccc3C2=O)C(=O)N1
|
C16H16N2O3 284.315000 |
AATYJISZHXAURK-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1174
|
Local ready
Direct docking supported
|
|
E3L065435
LIG000005
|
ML 1-17
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(C=O)nc1)c1nnc(C)n1-2
|
C25H21ClN6O2S 505.003000 |
AAZZKYQHDWAFRG-FQEVSTJZSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB253
|
Local ready
Direct docking supported
|
|
E3L065436
LIG000006
|
T01
O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCc4ccccc4)c3C2=O)C(=O)N1
|
C26H29N3O7 495.532000 |
ABVURXJHWPVUJF-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB983
|
Local ready
Direct docking supported
|
|
E3L065437
LIG000007
|
9k
COc1ccc(-c2ccc3[nH]c(=O)c4nnn(-c5ccc(N6CCN(C(=O)/C=C/C(=O)c7ccc(OC(C)C)cc7)CC6)c(C(F)(F)F)c5)c4c3c2)cn1
|
C39H34F3N7O5 737.739000 |
ACBSUXYUBACTFG-FYWRMAATSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB672
|
Local ready
Direct docking supported
|
|
E3L065438
LIG000008
|
55
O=C1CCC(N2C(=O)c3cccc(C#Cc4ccccc4)c3C2=O)C(=O)N1
|
C21H14N2O4 358.353000 |
ACKVBKFECJENKX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1019
|
Local ready
Direct docking supported
|
|
E3L065439
LIG000009
|
1
O=C1CCC(N2Cc3cc(NCc4ccccc4)ccc3C2=O)C(=O)N1
|
C20H19N3O3 349.390000 |
ACMKWPUNBKGINW-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1217
|
Local ready
Direct docking supported
|
|
E3L065440
LIG000010
|
8b
COc1ccc(Br)cc1S(=O)(=O)Nc1cc2c(C)noc2cc1OCC(=O)NCCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C33H31BrN6O10S 783.614000 |
ADLLHXSAIAAUAX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB646
|
Local ready
Direct docking supported
|