| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000001
BDB000001
|
2-Piperidone
O=C1CCCCN1
|
C5H9NO 99.133000 |
XUWHAWMETYGRKB-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM10; PubChem:CID12665
|
Local ready
Direct docking supported
|
|
E3L000002
BDB000002
|
3-Imino-5-methyl-6-phenylphenanthridin-8-amine
Cn1c2cc(=N)ccc-2c2ccc(N)cc2c1-c1ccccc1
|
C20H17N3 299.377000 |
MRYUEHRAIMRPNB-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM18; PubChem:CID101297715
|
Local ready
Direct docking supported
|
|
E3L000003
BDB000003
|
Vandetanib
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
|
C22H24BrFN4O2 475.362000 |
UHTHHESEBZOYNR-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2, Serine/threonine-protein kinase LATS1, Aurora kinase A, Interleukin-1 receptor-associated kinase 1, Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM21; PubChem:CID3081361
|
Local ready
Direct docking supported
|
|
E3L000004
BDB000004
|
BDBM165
Cc1cc(-c2cc3cc(C)n(C)c3cc2Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)ccn1
|
C29H25N5O4 507.550000 |
WWONKAWUQZQATD-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM165; PubChem:CID178184970
|
Local ready
Direct docking supported
|
|
E3L000005
BDB000005
|
Cgp 53820
CC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC1CCCCC1)NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C
|
C31H51N5O5 573.779000 |
JNBVLGDICHLLTN-DZUOILHNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM201; PubChem:CID65023
|
Local ready
Direct docking supported
|
|
E3L000006
BDB000006
|
Pepstatin
CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C
|
C34H63N5O9 685.904000 |
FAXGPCHRFPCXOO-LXTPJMTPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM912; PubChem:CID5478883
|
Local ready
Direct docking supported
|
|
E3L000007
BDB000007
|
Staurosporine
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
|
C28H26N4O3 466.541000 |
HKSZLNNOFSGOKW-FYTWVXJKSA-N | O14965, O95835, P51617, P51948, Q13233, Q92630 | Cyclin-H, Aurora kinase A, Serine/threonine-protein kinase LATS1, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Mitogen-activated protein kinase kinase kinase 1, Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM2579; PubChem:CID44259
|
Local ready
Direct docking supported
|
|
E3L000008
BDB000008
|
Arcyriaflavin A
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
|
C20H11N3O2 325.327000 |
KAJXOWFGKYKMMZ-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM2672; PubChem:CID5327723
|
Local ready
Direct docking supported
|
|
E3L000009
BDB000009
|
BDBM3033
Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O
|
C24H18N4O 378.435000 |
VWVYILCFSYNJHF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM3033; PubChem:CID3501
|
Local ready
Direct docking supported
|
|
E3L000010
BDB000010
|
BDBM3915
Cc1cc(-c2cc3ccn(C4CC4)c3cc2Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)ccn1
|
C30H25N5O4 519.561000 |
YPNCURMYGUJKHS-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM3915; PubChem:CID178184971
|
Local ready
Direct docking supported
|
|
E3L000011
BDB000011
|
BDBM3917
Cc1cc(-c2cc3c(cc2Nc2cccc4c2C(=O)N(C2CCC(=O)NC2=O)C4=O)c(C)nn3C)ccn1
|
C28H24N6O4 508.538000 |
UPTCOYFDUAPRPK-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM3917; PubChem:CID171554287
|
Local ready
Direct docking supported
|
|
E3L000012
BDB000012
|
BDBM4073
Cc1cc(-c2cc3c(cnn3C3CCOCC3)cc2Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)ccn1
|
C31H28N6O5 564.602000 |
HUHGXKSSWWETEN-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM4073; PubChem:CID171554210
|
Local ready
Direct docking supported
|
|
E3L000013
BDB000013
|
Ellagic Acid
O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23
|
C14H6O8 302.194000 |
AFSDNFLWKVMVRB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM4078; PubChem:CID5281855
|
Local ready
Direct docking supported
|
|
E3L000014
BDB000014
|
BDBM4201
COc1ccc(-c2cc3ncn(C)c3cc2Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1F
|
C28H22FN5O5 527.512000 |
WZPDSZGYLXZFEK-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM4201; PubChem:CID171554209
|
Local ready
Direct docking supported
|
|
E3L000015
BDB000015
|
WIZ degrader 6
Cc1cccc(F)c1Oc1ccc2c(cnn2C)c1Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C28H22FN5O5 527.512000 |
RZOWKEWOOLNSRT-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM4204; PubChem:CID171554169
|
Local ready
Direct docking supported
|
|
E3L000016
BDB000016
|
BDBM4206
Cc1cc(-c2cc3cnn(C)c3cc2Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)ccn1
|
C27H22N6O4 494.511000 |
DOSAHDCAHLISQN-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM4206; PubChem:CID171554178
|
Local ready
Direct docking supported
|
|
E3L000017
BDB000017
|
BDBM4208
Cc1cc(-c2cc3onc(C)c3cc2Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)ccn1
|
C27H21N5O5 495.495000 |
GAYWGFGQGDNVRA-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM4208; PubChem:CID171554191
|
Local ready
Direct docking supported
|
|
E3L000018
BDB000018
|
BDBM4210
CN(C)CCOc1cc(Oc2ccccc2)c(Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cn1
|
C28H27N5O6 529.553000 |
JKBDSXKVJRBXET-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM4210; PubChem:CID171554187
|
Local ready
Direct docking supported
|
|
E3L000019
BDB000019
|
BDBM4212
O=C1CCC(N2C(=O)c3cccc(Nc4cc5cnn(C6CCOCC6)c5cc4C4CC4)c3C2=O)C(=O)N1
|
C28H27N5O5 513.554000 |
LQCZDIVUTFODFS-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM4212; PubChem:CID171554260
|
Local ready
Direct docking supported
|
|
E3L000020
BDB000020
|
BDBM4385
O=C1CCC(N2C(=O)c3cccc(Nc4cc5cnn(C6CCOCC6)c5cc4-c4ccnc(C(F)F)c4)c3C2=O)C(=O)N1
|
C31H26F2N6O5 600.582000 |
CLUCHVCNBAPVJE-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM4385; PubChem:CID171554162
|
Local ready
Direct docking supported
|