| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000041
BDB000041
|
BDBM5218
Cn1ncc2cc(Oc3ccccc3)c(Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc21
|
C27H21N5O5 495.495000 |
KMSXQGYTZKDJQL-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM5218; PubChem:CID171554291
|
Local ready
Direct docking supported
|
|
E3L000042
BDB000042
|
BDBM5241
Cn1ncc2cc(Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c(-c3cccc(C(F)(F)F)c3)cc21
|
C28H20F3N5O4 547.493000 |
CQOHUZGUJWLVGR-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM5241; PubChem:CID171554306
|
Local ready
Direct docking supported
|
|
E3L000043
BDB000043
|
BDBM5276
Cc1nccc(-c2cc3c(cnn3C)cc2Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c1C
|
C28H24N6O4 508.538000 |
NEHSHIVSPLRWLA-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM5276; PubChem:CID171554213
|
Local ready
Direct docking supported
|
|
E3L000044
BDB000044
|
5-bromo-N-(pyridin-2-yl)thiazol-2-amine
Brc1cnc(Nc2ccccn2)s1
|
C8H6BrN3S 256.128000 |
WZNOXZQMWMMJMJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM5359; PubChem:CID5329400
|
Local ready
Direct docking supported
|
|
E3L000045
BDB000045
|
2-(Pyridin-2-ylamino)-thiazole-5-carbonitrile
N#Cc1cnc(Nc2ccccn2)s1
|
C9H6N4S 202.242000 |
DJUPCZRMXNBXKZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM5362; PubChem:CID5329402
|
Local ready
Direct docking supported
|
|
E3L000046
BDB000046
|
BDBM5373
COc1cc(-c2ccccc2)c(Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cn1
|
C25H20N4O5 456.458000 |
OIPIUOJUSGKCQR-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM5373; PubChem:CID171554239
|
Local ready
Direct docking supported
|
|
E3L000047
BDB000047
|
Lapatinib
CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1
|
C29H26ClFN4O4S 581.069000 |
BCFGMOOMADDAQU-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Mitogen-activated protein kinase kinase kinase 1, Serine/threonine-protein kinase LATS1, Aurora kinase A, Interleukin-1 receptor-associated kinase 1, Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM5445; PubChem:CID208908
|
Local ready
Direct docking supported
|
|
E3L000048
BDB000048
|
Erlotinib
C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1
|
C22H23N3O4 393.443000 |
AAKJLRGGTJKAMG-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Aurora kinase A, Interleukin-1 receptor-associated kinase 1, Serine/threonine-protein kinase LATS1, Mitogen-activated protein kinase kinase kinase 1, Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM5446; PubChem:CID176870
|
Local ready
Direct docking supported
|
|
E3L000049
BDB000049
|
Gefitinib
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
|
C22H24ClFN4O3 446.910000 |
XGALLCVXEZPNRQ-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Interleukin-1 receptor-associated kinase 1, Aurora kinase A, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Mitogen-activated protein kinase kinase kinase 1, Serine/threonine-protein kinase LATS1 |
BindingDB, PubChem
BindingDB:BDBM5447; PubChem:CID123631
|
Local ready
Direct docking supported
|
|
E3L000050
BDB000050
|
BDBM5518
CN(C)C1CCc2ccc(Nc3cccc4c3C(=O)N([C@@]3(C)CCC(=O)NC3=O)C4=O)cc21
|
C25H26N4O4 446.507000 |
RGMRTFYSLUCXFJ-BIAFCPFJSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM5518; PubChem:CID171554249
|
Local ready
Direct docking supported
|
|
E3L000051
BDB000051
|
BDBM5596
Cc1cc(-c2cc3c(cc2Nc2cccc4c2C(=O)N([C@H]2CCC(=O)NC2=O)C4=O)N(C)C(=O)CC3)ccn1
|
C29H25N5O5 523.549000 |
WTHBTFQJBVJOAO-QFIPXVFZSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM5596; PubChem:CID171554272
|
Local ready
Direct docking supported
|
|
E3L000052
BDB000052
|
Alvocidib
CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1
|
C21H20ClNO5 401.846000 |
BIIVYFLTOXDAOV-YVEFUNNKSA-N | O14965, O95835, P51617, P51948, Q13233, Q92630 | Aurora kinase A, Interleukin-1 receptor-associated kinase 1, Mitogen-activated protein kinase kinase kinase 1, Cyclin-H, Serine/threonine-protein kinase LATS1, Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM5655; PubChem:CID5287969
|
Local ready
Direct docking supported
|
|
E3L000053
BDB000053
|
BDBM5730
Cc1cc2c(cc1Nc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)N(C)C(=O)CC2
|
C24H22N4O5 446.463000 |
SDCKZXURVAQREZ-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM5730; PubChem:CID171554168
|
Local ready
Direct docking supported
|
|
E3L000054
BDB000054
|
BDBM5925
CN1C(=O)CCc2cc(C3CC3)c(Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc21
|
C26H24N4O5 472.501000 |
CEMWFIZHZKVDTN-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM5925; PubChem:CID171554274
|
Local ready
Direct docking supported
|
|
E3L000055
BDB000055
|
BDBM6119
Cc1cc(-c2cc3c(cc2Nc2cccc4c2C(=O)N([C@H]2CCC(=O)NC2=O)C4=O)N(C)C(=O)CC3)cn(C)c1=O
|
C30H27N5O6 553.575000 |
IPWNGXFWEMLZBT-QFIPXVFZSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM6119; PubChem:CID171554271
|
Local ready
Direct docking supported
|
|
E3L000056
BDB000056
|
BDBM6128
CN1C(=O)CCc2cc(-c3cnn(C)c3)c(Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc21
|
C27H24N6O5 512.526000 |
AXFYFPMXTVZBGD-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM6128; PubChem:CID171554268
|
Local ready
Direct docking supported
|
|
E3L000057
BDB000057
|
BDBM6130
CN1C(=O)CCc2cc(-c3cnn(C4CC4)c3)c(Nc3cccc4c3C(=O)N([C@H]3CCC(=O)NC3=O)C4=O)cc21
|
C29H26N6O5 538.564000 |
IDALOGQZDJPGDQ-QFIPXVFZSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM6130; PubChem:CID171554276
|
Local ready
Direct docking supported
|
|
E3L000058
BDB000058
|
BDBM6132
Cc1nn(C)cc1-c1cc2c(cc1Nc1cccc3c1C(=O)N([C@H]1CCC(=O)NC1=O)C3=O)N(C)C(=O)CC2
|
C28H26N6O5 526.553000 |
WWCJLGYHNVVEBB-NRFANRHFSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM6132; PubChem:CID171554277
|
Local ready
Direct docking supported
|
|
E3L000059
BDB000059
|
BDBM6284
Cc1csc(-c2cc3c(cc2Nc2cccc4c2C(=O)N(C2CCC(=O)NC2=O)C4=O)N(C)C(=O)CC3)n1
|
C27H23N5O5S 529.578000 |
XWGYWYZJOPTBHP-UHFFFAOYSA-N | O95365 | Zinc finger and BTB domain-containing protein 7A |
BindingDB, PubChem
BindingDB:BDBM6284; PubChem:CID171554147
|
Local ready
Direct docking supported
|
|
E3L000060
BDB000060
|
Palbociclib
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
|
C24H29N7O2 447.543000 |
AHJRHEGDXFFMBM-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM6309; PubChem:CID5330286
|
Local ready
Direct docking supported
|