| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L060401
BDB060401
|
BDBM50549955
CO[C@@H]1[C@@H](n2cc(-c3ccc(Cl)c(Cl)c3F)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1ccc2ncsc2c1
|
C24H22Cl2FN5O5S 582.441000 |
HJFUZTRJZDWWPG-HWLDZIHSSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50549955; PubChem:CID162662900
|
Local ready
Direct docking supported
|
|
E3L060402
BDB060402
|
BDBM50549956
CO[C@@H]1[C@@H](n2cc(-c3ccc(Br)c(F)c3F)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1ccc2ncsc2c1
|
C24H22BrF2N5O5S 610.437000 |
VAHFPFWYMCULAM-HWLDZIHSSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50549956; PubChem:CID155201773
|
Local ready
Direct docking supported
|
|
E3L060403
BDB060403
|
BDBM50549957
CO[C@@H]1[C@@H](n2cc(-c3ccc(Cl)c(F)c3Cl)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1ccc2ncsc2c1
|
C24H22Cl2FN5O5S 582.441000 |
UTLFDRFGHDOZAU-HWLDZIHSSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50549957; PubChem:CID162671554
|
Local ready
Direct docking supported
|
|
E3L060404
BDB060404
|
BDBM50549958
CCS(=O)(=O)c1ccc(Cl)cc1N(C)C(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@H]1OC
|
C25H26ClF3N4O7S 619.018000 |
MEUCYOUPEAATQR-VLZGJKPMSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50549958; PubChem:CID162644127
|
Local ready
Direct docking supported
|
|
E3L060405
BDB060405
|
Galectin-3-IN-4
CO[C@@H]1[C@@H](n2cc(-c3ccc(Cl)c(F)c3F)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1ccc2ncsc2c1
|
C24H22ClF2N5O5S 565.986000 |
LGZJVCBTCCGZTI-HWLDZIHSSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50549959; PubChem:CID155201766
|
Local ready
Direct docking supported
|
|
E3L060406
BDB060406
|
BDBM50549960
CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1ccc2ncsc2c1
|
C24H22F3N5O5S 549.531000 |
QFOYPGLCAPECCY-SUHOFRIBSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50549960; PubChem:CID155201739
|
Local ready
Direct docking supported
|
|
E3L060407
BDB060407
|
Synucleozid
N=C(N)c1ccc(Nc2ccc(-c3cc4ccc(C(=N)N)cc4[nH]3)cc2)cc1
|
C22H20N6 368.444000 |
TZRXNWCLKYWDNH-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50550091; PubChem:CID435840
|
Local ready
Direct docking supported
|
|
E3L060408
BDB060408
|
BDBM50550092
CNC(=N)N/N=C(/C)c1ccc2oc3ccc(/C(C)=N/NC(=N)NC)cc3c2c1
|
C20H24N8O 392.467000 |
GDRFOQDJRLEMDH-UIXGLJBASA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50550092; PubChem:CID92529079
|
Local ready
Direct docking supported
|
|
E3L060409
BDB060409
|
BDBM50550093
c1cc2cc(-c3ccc4oc(C5=NCCN5)cc4c3)[nH]c2cc1C1=NCCN1
|
C22H19N5O 369.428000 |
YGJRBLKDKDPKDV-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50550093; PubChem:CID435423
|
Local ready
Direct docking supported
|
|
E3L060410
BDB060410
|
BDBM50550094
CNCC(=O)NC1=CC2C(=O)c3ccc(NC(=O)CNC)cc3C(=O)C2C=C1
|
C20H22N4O4 382.420000 |
YMWIJQUKVDHYIL-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50550094; PubChem:CID162647242
|
Local ready
Direct docking supported
|
|
E3L060411
BDB060411
|
Naphtho(1,2-g)pteridine-9,11-diamine
Nc1nc(N)c2nc3c(ccc4ccccc43)nc2n1
|
C14H10N6 262.276000 |
DHGUFUVSUAYZAH-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50550095; PubChem:CID339935
|
Local ready
Direct docking supported
|
|
E3L060412
BDB060412
|
BDBM50550144
CN(Cc1ccccc1)CC(O)COc1cccc(CNC2CCCC2)c1
|
C23H32N2O2 368.521000 |
WQVBZUJMJLULDY-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50550144; PubChem:CID162654729
|
Local ready
Direct docking supported
|
|
E3L060413
BDB060413
|
BDBM50550145
OC(COc1cccc(CNC2CCCC2)c1)CN1CCc2ccncc2C1
|
C23H31N3O2 381.520000 |
LDVDUBWSVPPRPA-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50550145; PubChem:CID118611079
|
Local ready
Direct docking supported
|
|
E3L060414
BDB060414
|
BDBM50550152
CC[C@H]1[C@@H](O)[C@@H]2[C@H]([C@@H](O)C[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12
|
C26H44O5 436.633000 |
UEXTVLKDFZEPMH-PAEMJXPASA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50550152
|
Local ready
Direct docking supported
|
|
E3L060415
BDB060415
|
Pf-06273340
CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cn3)c2)c2cnc(N)nc21
|
C23H22ClN7O3 479.928000 |
BPIWZDNVMQQBQX-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50550246; PubChem:CID66571548
|
Local ready
Direct docking supported
|
|
E3L060416
BDB060416
|
4-[6-Amino-5-(4-chlorophenyl)-3-pyridinyl]benzoic acid
Nc1ncc(-c2ccc(C(=O)O)cc2)cc1-c1ccc(Cl)cc1
|
C18H13ClN2O2 324.767000 |
RVAGTSXRUDWALM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50550597; PubChem:CID162656879
|
Local ready
Direct docking supported
|
|
E3L060417
BDB060417
|
BDBM50551577
COc1ccc(-n2cc(C(=O)NCC(C)(C)N3CCOCC3)c(-c3ccccc3)n2)cc1
|
C25H30N4O3 434.540000 |
BJPPOTJAQZGVIA-UHFFFAOYSA-N | P29375, P41229 | Lysine-specific demethylase 5C, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50551577; PubChem:CID155570013
|
Local ready
Direct docking supported
|
|
E3L060418
BDB060418
|
Siais117
COc1cc(N2CCC(NC(=O)CCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
|
C57H76ClN10O7PS 1111.792000 |
DYUJLNPTOOBZBB-CCXZOALNSA-N | Q9HC35 | ALK tyrosine kinase receptor |
BindingDB, PubChem
BindingDB:BDBM50551598; PubChem:CID141763005
|
Local ready
Direct docking supported
|
|
E3L060419
BDB060419
|
BDBM50552483
Nc1ccc(-c2cn(Cc3cc(C(=O)O)cc(-c4cccc(C(=O)O)c4)c3)nn2)cc1
|
C23H18N4O4 414.421000 |
ZBQJXILHBDHMAS-UHFFFAOYSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM50552483; PubChem:CID162661334
|
Local ready
Direct docking supported
|
|
E3L060420
BDB060420
|
BDBM50552555
Cc1ccc(-n2cc(COc3cccc4cnc(Nc5cccc(Cl)c5)nc34)nn2)c([N+](=O)[O-])c1
|
C24H18ClN7O3 487.907000 |
JEPGNFQKCRZPHJ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50552555; PubChem:CID162666194
|
Local ready
Direct docking supported
|