| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L061861
BDB061861
|
BDBM50587554
N#Cc1c(Nc2ccc3[nH]c(=O)cc(N4CCCCC4)c3c2)ccnc1Cl
|
C20H18ClN5O 379.851000 |
KCUHYCIGBCKRTB-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50587554; PubChem:CID166632372
|
Local ready
Direct docking supported
|
|
E3L061862
BDB061862
|
BDBM50587555
CN1CCN(c2cc(=O)[nH]c3ccc(Nc4ccnc(Cl)c4C#N)cc23)CC1
|
C20H19ClN6O 394.866000 |
SYEISTIQVVVHKQ-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50587555; PubChem:CID162368329
|
Local ready
Direct docking supported
|
|
E3L061863
BDB061863
|
BDBM50587556
N#Cc1c(Nc2ccc3[nH]c(=O)cc(N4CCOCC4)c3c2)ccnc1Cl
|
C19H16ClN5O2 381.823000 |
HPISPCMULBBREF-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50587556; PubChem:CID166628782
|
Local ready
Direct docking supported
|
|
E3L061864
BDB061864
|
BDBM50587557
Cn1cc(-c2cc(=O)[nH]c3ccc(Nc4ccnc(Cl)c4C#N)cc23)cn1
|
C19H13ClN6O 376.807000 |
SDOMHVYWCBCKFI-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50587557; PubChem:CID162368330
|
Local ready
Direct docking supported
|
|
E3L061865
BDB061865
|
BDBM50587558
CCNc1cc(=O)[nH]c2ccc(Nc3ccnc(Cl)c3C#N)cc12
|
C17H14ClN5O 339.786000 |
HQTXWNXINXRBIU-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50587558; PubChem:CID162368331
|
Local ready
Direct docking supported
|
|
E3L061866
BDB061866
|
BDBM50587559
CCCNc1cc(=O)n(C)c2ccc(Nc3cc(C(=O)O)nc(Cl)c3C#N)cc12
|
C20H18ClN5O3 411.849000 |
VOCBDLTYNJFADK-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50587559; PubChem:CID166631398
|
Local ready
Direct docking supported
|
|
E3L061867
BDB061867
|
BDBM50587560
CNC(=O)[C@H](C)Nc1cc(=O)[nH]c2ccc(Nc3ccnc(Cl)c3C#N)cc12
|
C19H17ClN6O2 396.838000 |
CWFHDWACYRWCLF-JTQLQIEISA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50587560; PubChem:CID162368332
|
Local ready
Direct docking supported
|
|
E3L061868
BDB061868
|
BDBM50587561
CNC(=O)[C@H](C)Nc1cc(=O)[nH]c2ccc(Nc3ccnc(Cl)c3C#N)cc12
|
C19H17ClN6O2 396.838000 |
CWFHDWACYRWCLF-JTQLQIEISA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50587561; PubChem:CID162368332
|
Local ready
Direct docking supported
|
|
E3L061869
BDB061869
|
BDBM50587562
CNC(=O)C(Nc1cc(=O)[nH]c2ccc(Nc3ccnc(Cl)c3C#N)cc12)C1CC1
|
C21H19ClN6O2 422.876000 |
XXWICABUSJTLMQ-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50587562; PubChem:CID166626121
|
Local ready
Direct docking supported
|
|
E3L061870
BDB061870
|
BDBM50587563
CNC(=O)CNc1cc(=O)[nH]c2ccc(Nc3ccnc(Cl)c3C#N)cc12
|
C18H15ClN6O2 382.811000 |
KFQFCTJGGHXAIT-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50587563; PubChem:CID135386617
|
Local ready
Direct docking supported
|
|
E3L061871
BDB061871
|
BDBM50587564
CNC(=O)C(C)Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12
|
C20H19ClN6O2 410.865000 |
FADZTVPDTJJNJV-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50587564; PubChem:CID135386797
|
Local ready
Direct docking supported
|
|
E3L061872
BDB061872
|
BDBM50587565
Cn1c(=O)cc(NC(C)(C)c2ncccn2)c2cc(Nc3ccnc(Cl)c3C#N)ccc21
|
C23H20ClN7O 445.914000 |
HVBNNNFJPKGPQA-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50587565; PubChem:CID135385909
|
Local ready
Direct docking supported
|
|
E3L061873
BDB061873
|
BDBM50587625
COc1cc(CCc2cc(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)n[nH]2)cc(OC)c1
|
C25H30N6O2 446.555000 |
QHCGPJPIPKDWAT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50587625
|
Local ready
Direct docking supported
|
|
E3L061874
BDB061874
|
BDBM50587791
O=C(O)C[C@@H]1COc2cc(OCc3ccc4nc(-c5ccc(C(F)(F)F)cc5)cn4c3)ccc21
|
C25H19F3N2O4 468.431000 |
FDBHYEWJIDFLOA-QGZVFWFLSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50587791; PubChem:CID168273613
|
Local ready
Direct docking supported
|
|
E3L061875
BDB061875
|
BDBM50587856
COc1cc2cc3[n+](cc2cc1OC)CCCc1cc2c(cc1-3)OCO2
|
C21H20NO4+ 350.394000 |
KJEULOJCWUQCIX-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50587856; PubChem:CID168273583
|
Local ready
Direct docking supported
|
|
E3L061876
BDB061876
|
N-(3-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Brc1cccc(Nc2ncnc3[nH]ccc23)c1
|
C12H9BrN4 289.136000 |
CGTJZAKCIVQOPI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50587891; PubChem:CID57045449
|
Local ready
Direct docking supported
|
|
E3L061877
BDB061877
|
BDBM50587905
O=C(N/N=C/c1coc2ccccc2c1=O)c1ccc(F)cc1
|
C17H11FN2O3 310.284000 |
JVQUANRMBXHXCY-DJKKODMXSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50587905; PubChem:CID142743743
|
Local ready
Direct docking supported
|
|
E3L061878
BDB061878
|
BDBM50587906
C=CCn1c(C)nc2ccc(Nc3nc(N4CCN(C)CC4)nc4ccccc34)cc21
|
C24H27N7 413.529000 |
HPNXIZGWOXDRMD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50587906; PubChem:CID71625458
|
Local ready
Direct docking supported
|
|
E3L061879
BDB061879
|
DC-PRC2in-01
COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)C2)cc1
|
C27H29FN4O 444.554000 |
GXGLNUHZGXXOQI-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50587917; PubChem:CID15037469
|
Local ready
Direct docking supported
|
|
E3L061880
BDB061880
|
BDBM50588000
CCc1cc2c(cc1N1CCN(C(=O)CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
|
C40H37N7O6 711.779000 |
UMEMOEKJTJMMJN-UHFFFAOYSA-N | Q9HC35 | Echinoderm microtubule-associated protein-like 4 |
BindingDB
BindingDB:BDBM50588000
|
Local ready
Direct docking supported
|