| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050521
BDB050521
|
BDBM50269857
CC(=O)N1CCC(n2nc(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)c3c2CCN(C(C)=O)C3)CC1
|
C29H35F2N7O2 551.642000 |
QUBRQSUHVSGWCC-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50269857
|
Local ready
Direct docking supported
|
|
E3L050522
BDB050522
|
BDBM50269906
CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCN(C)CC2)C1
|
C28H35F2N7O 523.632000 |
XJBFFRZIFUFSCO-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50269906
|
Local ready
Direct docking supported
|
|
E3L050523
BDB050523
|
BDBM50269907
CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCNCC2)C1
|
C27H33F2N7O 509.605000 |
LHZXBZYVTILAIU-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50269907
|
Local ready
Direct docking supported
|
|
E3L050524
BDB050524
|
BDBM50269908
CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCCCC2)C1
|
C28H34F2N6O 508.617000 |
JOYSTGRIDZTHNY-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50269908; PubChem:CID121373769
|
Local ready
Direct docking supported
|
|
E3L050525
BDB050525
|
BDBM50269909
CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(Cl)cc43)nn2[C@H]2CCOC2)C1
|
C25H29ClN6O2 481.000000 |
NYOUQHHVBLJFPS-IBGZPJMESA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50269909
|
Local ready
Direct docking supported
|
|
E3L050526
BDB050526
|
BDBM50269910
CC(=O)N1CCc2c(c(N3CCCCc4cc(-c5cnn(C)c5)ccc43)nn2[C@H]2CCOC2)C1
|
C26H32N6O2 460.582000 |
BTSWVMKKTISTTJ-QFIPXVFZSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50269910; PubChem:CID121373476
|
Local ready
Direct docking supported
|
|
E3L050527
BDB050527
|
BDBM50269911
CC(=O)N1CCc2c(c(N3CCc4cc(-c5cnn(C)c5)ccc43)nn2[C@H]2CCOC2)C1
|
C24H28N6O2 432.528000 |
RYJWPUXSUMMTIQ-FQEVSTJZSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50269911; PubChem:CID121376818
|
Local ready
Direct docking supported
|
|
E3L050528
BDB050528
|
BDBM50269912
CN(C)C(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1
|
C28H35F2N7O2 539.631000 |
JJYJXZODNWHHKA-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50269912; PubChem:CID137656667
|
Local ready
Direct docking supported
|
|
E3L050529
BDB050529
|
BDBM50269914
CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)(F)F)cc43)nn2[C@H]2CCOC2)C1
|
C26H29F3N6O2 514.552000 |
BPGFXHXXEIUDSE-IBGZPJMESA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50269914; PubChem:CID137646519
|
Local ready
Direct docking supported
|
|
E3L050530
BDB050530
|
PF-573228
CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1
|
C22H20F3N5O3S 491.495000 |
HESLKTSGTIBHJU-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50269948; PubChem:CID11612883
|
Local ready
Direct docking supported
|
|
E3L050531
BDB050531
|
BDBM50270475
CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCCN)cc1
|
C22H25NO3 351.446000 |
XWSGOHFMQOHBJK-UHFFFAOYSA-N | O75151, P29375, Q6ZMT4 | Lysine-specific demethylase 7A, Lysine-specific demethylase 5A, Lysine-specific demethylase PHF2 |
BindingDB, PubChem
BindingDB:BDBM50270475; PubChem:CID145963156
|
Local ready
Direct docking supported
|
|
E3L050532
BDB050532
|
BDBM50270476
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)O
|
C96H176N36O28 2282.688000 |
HAEAINLTRBJDIK-PCXPZXRNSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50270476; PubChem:CID131637453
|
Local ready
Direct docking supported
|
|
E3L050533
BDB050533
|
BDBM50270477
CNCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)[C@@H](C)O
|
C95H174N36O28 2268.661000 |
WKQOZLPRRKXRCK-IJXLUJRRSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50270477; PubChem:CID145962144
|
Local ready
Direct docking supported
|
|
E3L050534
BDB050534
|
Histone H3 (1-21)
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)O
|
C94H172N36O28 2254.634000 |
OJIDDTQPKBXBPY-LSFKTUMCSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50270478; PubChem:CID56666474
|
Local ready
Direct docking supported
|
|
E3L050535
BDB050535
|
BDBM50270479
CCCCc1oc2ccccc2c1C(=O)c1ccccc1OCCC[N+](C)(C)C
|
C25H32NO3+ 394.535000 |
MUZHQXLLSAFYCM-UHFFFAOYSA-N | O75151, P29375, Q6ZMT4 | Lysine-specific demethylase 5A, Lysine-specific demethylase PHF2, Lysine-specific demethylase 7A |
BindingDB, PubChem
BindingDB:BDBM50270479; PubChem:CID145947236
|
Local ready
Direct docking supported
|
|
E3L050536
BDB050536
|
4-chloro-6,7-dimethoxy-9H-pyrimido[4,5-b]indole
COc1cc2[nH]c3ncnc(Cl)c3c2cc1OC
|
C12H10ClN3O2 263.684000 |
DJEHYLVMWCPRFJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50270610; PubChem:CID14293776
|
Local ready
Direct docking supported
|
|
E3L050537
BDB050537
|
BDBM50270611
COc1cc2[nH]c3ncnc(N4CCN(C(=S)Nc5ccc(S(=O)(=O)Nc6ncccn6)cc5)CC4)c3c2cc1OC
|
C27H27N9O4S2 605.706000 |
URSWGFSZIPXVPM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50270611; PubChem:CID11353953
|
Local ready
Direct docking supported
|
|
E3L050538
BDB050538
|
15-Deoxy-delta12,14-prostaglandin
CCCCC/C=C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)O
|
C20H28O3 316.441000 |
VHRUMKCAEVRUBK-GODQJPCRSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50270612; PubChem:CID5311211
|
Local ready
Direct docking supported
|
|
E3L050539
BDB050539
|
BDBM50271098
CC(=O)C1=C(O)C(=O)N(CCc2ccc(Cl)c(Cl)c2)C1c1ccc(Br)cc1
|
C20H16BrCl2NO3 469.162000 |
WHVAGTFDMKXLRY-UHFFFAOYSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM50271098; PubChem:CID46830074
|
Local ready
Direct docking supported
|
|
E3L050540
BDB050540
|
BDBM50271299
CCC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]1CCc2ccccc21)[C@@H](C)CC
|
C37H49N5O4 627.830000 |
JSAPFBCRNWYBJJ-UCARXCGCSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50271299; PubChem:CID145960656
|
Local ready
Direct docking supported
|