| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000021
BDB000021
|
BDBM4389
COc1cc(OCCN2CCCCC2)ccc1Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C27H30N4O6 506.559000 |
OTGVBMANDTXTSP-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM4389; PubChem:CID58827259
|
Local ready
Direct docking supported
|
|
E3L000022
BDB000022
|
BDBM4391
O=C1CCC(N2C(=O)c3cccc(Nc4c(Oc5ccccc5Cl)ccc5c4cnn5C4CCOCC4)c3C2=O)C(=O)N1
|
C31H26ClN5O6 600.031000 |
ZMEVDZWDXVQGHT-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM4391; PubChem:CID171554227
|
Local ready
Direct docking supported
|
|
E3L000023
BDB000023
|
BDBM4393
COc1ccc(-c2cc3c(cnn3C)cc2Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1F
|
C28H22FN5O5 527.512000 |
JKSXFSKDAZCTRR-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM4393; PubChem:CID171554251
|
Local ready
Direct docking supported
|
|
E3L000024
BDB000024
|
BDBM4537
Cn1ncc2cc(Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c(Oc3ccccc3)cc21
|
C27H21N5O5 495.495000 |
NHRYNLOVXWXDDO-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM4537; PubChem:CID171554159
|
Local ready
Direct docking supported
|
|
E3L000025
BDB000025
|
BDBM4541
O=C1CCC(N2C(=O)c3cccc(Nc4cc5cnn(C6CCOCC6)c5cc4Oc4cccc(F)c4)c3C2=O)C(=O)N1
|
C31H26FN5O6 583.576000 |
MHECLZVPWCJHPF-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM4541; PubChem:CID171554146
|
Local ready
Direct docking supported
|
|
E3L000026
BDB000026
|
Bosutinib
COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl
|
C26H29Cl2N5O3 530.456000 |
UBPYILGKFZZVDX-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Serine/threonine-protein kinase LATS1, Aurora kinase A, Interleukin-1 receptor-associated kinase 1, Mitogen-activated protein kinase kinase kinase 1, Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM4552; PubChem:CID5328940
|
Local ready
Direct docking supported
|
|
E3L000027
BDB000027
|
BDBM4626
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC
|
C16H13ClFN3O2 333.750000 |
VOPNWXZDJKCCRE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM4626; PubChem:CID5329009
|
Local ready
Direct docking supported
|
|
E3L000028
BDB000028
|
BDBM4660
Cn1ncc2cc(Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c(Oc3ccc(F)cc3)cc21
|
C27H20FN5O5 513.485000 |
BBVCFNJSEMADIA-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM4660; PubChem:CID171554145
|
Local ready
Direct docking supported
|
|
E3L000029
BDB000029
|
BDBM4721
COc1cc2c(cnn2C2CCOCC2)cc1Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C26H25N5O6 503.515000 |
DBSACWOVBWXHHZ-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM4721; PubChem:CID171554275
|
Local ready
Direct docking supported
|
|
E3L000030
BDB000030
|
BDBM4726
Cc1cc(-c2cc3c(cnn3C)cc2Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)ccn1
|
C27H22N6O4 494.511000 |
SSPZXZYFQKLOJR-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM4726; PubChem:CID171554301
|
Local ready
Direct docking supported
|
|
E3L000031
BDB000031
|
Canertinib
C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1
|
C24H25ClFN5O3 485.947000 |
OMZCMEYTWSXEPZ-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Serine/threonine-protein kinase LATS1, Aurora kinase A, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Interleukin-1 receptor-associated kinase 1, Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM4779; PubChem:CID156414
|
Local ready
Direct docking supported
|
|
E3L000032
BDB000032
|
Sunitinib
CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C
|
C22H27FN4O2 398.482000 |
WINHZLLDWRZWRT-ATVHPVEESA-N | O14965, O43172, O95835, P51617, Q13233, Q92630 | Aurora kinase A, Serine/threonine-protein kinase LATS1, Interleukin-1 receptor-associated kinase 1, U4/U6 small nuclear ribonucleoprotein Prp4, Mitogen-activated protein kinase kinase kinase 1, Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM4814; PubChem:CID5329102
|
Local ready
Direct docking supported
|
|
E3L000033
BDB000033
|
BDBM4824
Cc1c(Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)ccc2c1cnn2C1CCOCC1
|
C26H25N5O5 487.516000 |
GHDKYCBBVDZHOT-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM4824; PubChem:CID171554221
|
Local ready
Direct docking supported
|
|
E3L000034
BDB000034
|
BDBM4834
Cc1cc(Oc2ccccc2)c(Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cn1
|
C25H20N4O5 456.458000 |
OEEGZVBYQPYBEP-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM4834; PubChem:CID171554243
|
Local ready
Direct docking supported
|
|
E3L000035
BDB000035
|
BDBM4847
Cn1ncc2cc(Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c(C3CCOCC3)cc21
|
C26H25N5O5 487.516000 |
GCAPJPHGEKRMHF-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM4847; PubChem:CID171554258
|
Local ready
Direct docking supported
|
|
E3L000036
BDB000036
|
Vatalanib
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
|
C20H15ClN4 346.821000 |
YCOYDOIWSSHVCK-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Interleukin-1 receptor-associated kinase 1, Aurora kinase A, Mitogen-activated protein kinase kinase kinase 1, Serine/threonine-protein kinase LATS1, Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM4851; PubChem:CID151194
|
Local ready
Direct docking supported
|
|
E3L000037
BDB000037
|
BDBM4975
Cc1cc(-c2cc3c(cc2Nc2cccc4c2C(=O)N(C2CCC(=O)NC2=O)C4=O)nc(C)n3C)ccn1
|
C28H24N6O4 508.538000 |
UHFYKTCGHJHQAL-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM4975; PubChem:CID171554188
|
Local ready
Direct docking supported
|
|
E3L000038
BDB000038
|
BDBM5167
Cc1cc(-c2cc3c(cnn3C)cc2Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cnn1
|
C26H21N7O4 495.499000 |
XDAZNDTUZSCSGL-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM5167; PubChem:CID171554206
|
Local ready
Direct docking supported
|
|
E3L000039
BDB000039
|
BDBM5209
Cn1ncc2cc(Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c(Oc3cccc(Cl)c3)cc21
|
C27H20ClN5O5 529.940000 |
KRMLLFQZMJNHKF-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM5209; PubChem:CID171554212
|
Local ready
Direct docking supported
|
|
E3L000040
BDB000040
|
BDBM5212
Cc1ncncc1Oc1ccc2c(cnn2C)c1Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C26H21N7O5 511.498000 |
KWEDNUONNFCZIV-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM5212; PubChem:CID171554288
|
Local ready
Direct docking supported
|