| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L059861
BDB059861
|
BDBM50539513
Cc1cnc(-c2ccc(-c3ccco3)cc2)n1Cc1ccccc1OCCCCCC(=O)O
|
C27H28N2O4 444.531000 |
PZVNGYWXLMIOJJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50539513; PubChem:CID117629741
|
Local ready
Direct docking supported
|
|
E3L059862
BDB059862
|
BDBM50539514
Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O
|
C25H27F3N2O4 476.495000 |
GYNMVDMBFKGCCR-QGZVFWFLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50539514; PubChem:CID126752361
|
Local ready
Direct docking supported
|
|
E3L059863
BDB059863
|
BDBM50539550
CCn1nnc2c(C)c([C@@H](CC(=O)O)c3ccc4c(c3)CN(C(=O)c3c(C)c(C)cc(C)c3C)CC4)ccc21
|
C32H36N4O3 524.665000 |
LOIDURPHCVSHLE-MHZLTWQESA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50539550; PubChem:CID135263805
|
Local ready
Direct docking supported
|
|
E3L059864
BDB059864
|
BDBM50539551
CC[C@H](C(=O)O)[C@@H](c1ccc2c(c1)CN(C(=O)c1c(C)c(C)cc(C)c1C)CC2)c1ccc2c(nnn2CC)c1C
|
C34H40N4O3 552.719000 |
QSSFMHWXECOYDW-JTSJOTPCSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50539551; PubChem:CID135264076
|
Local ready
Direct docking supported
|
|
E3L059865
BDB059865
|
BDBM50539552
CCn1nnc2c(C)c([C@H](c3ccc4c(c3)CN(C(=O)c3c(C)c(C)cc(C)c3C)CC4)[C@@H](C)C(=O)O)ccc21
|
C33H38N4O3 538.692000 |
JUBFIKLKLFGJNP-DJUQAAIZSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50539552; PubChem:CID135263933
|
Local ready
Direct docking supported
|
|
E3L059866
BDB059866
|
BDBM50539553
CCn1nnc2c(C)c([C@H](c3ccc4c(c3)CN(C(=O)c3c(C)c(C)cc(C)c3C)CC4)[C@H](C)C(=O)O)ccc21
|
C33H38N4O3 538.692000 |
JUBFIKLKLFGJNP-JHOBJCJYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50539553; PubChem:CID135263960
|
Local ready
Direct docking supported
|
|
E3L059867
BDB059867
|
BDBM50539556
CCn1nnc2c(C)c([C@@H](CC(=O)O)c3ccc4c(c3)CN(C(=O)c3c(F)cccc3F)CC4)ccc21
|
C28H26F2N4O3 504.537000 |
INBSRKBKSGIXCC-NRFANRHFSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50539556; PubChem:CID156015294
|
Local ready
Direct docking supported
|
|
E3L059868
BDB059868
|
BDBM50539557
CCn1nnc2c(C)c([C@@H](CC(=O)O)c3ccc4c(c3)CN(C(=O)c3ccccc3C)CC4)ccc21
|
C29H30N4O3 482.584000 |
NYKNSRBBEATDBM-VWLOTQADSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50539557; PubChem:CID135264005
|
Local ready
Direct docking supported
|
|
E3L059869
BDB059869
|
BDBM50539562
CCn1nnc2c(C)c([C@@H](CC(=O)O)c3ccc4c(c3)CN(C(=O)c3ccccc3)CC4)ccc21
|
C28H28N4O3 468.557000 |
AUCYBCJRRYAJGN-DEOSSOPVSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50539562; PubChem:CID135263934
|
Local ready
Direct docking supported
|
|
E3L059870
BDB059870
|
BDBM50539569
CCn1nnc2c(C)c([C@@H](CC(=O)O)c3cc(C)c4c(c3)CN(C(=O)c3ccccc3)CC4)ccc21
|
C29H30N4O3 482.584000 |
QQOWDADZZIZEDA-VWLOTQADSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50539569; PubChem:CID135263899
|
Local ready
Direct docking supported
|
|
E3L059871
BDB059871
|
BDBM50539571
Cn1nnc2cc(C(CC(=O)O)c3ccc4c(c3)CN(C(=O)c3ccccc3)CC4)ccc21
|
C26H24N4O3 440.503000 |
HQMUAYQNXJIIGH-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50539571; PubChem:CID135263804
|
Local ready
Direct docking supported
|
|
E3L059872
BDB059872
|
Adagrasib
C=C(F)C(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)C[C@@H]1CC#N
|
C32H35ClFN7O2 604.130000 |
PEMUGDMSUDYLHU-ZEQRLZLVSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50539763; PubChem:CID138611145
|
Local ready
Direct docking supported
|
|
E3L059873
BDB059873
|
BDBM50539801
CCS(=O)(=O)Nc1cc(-c2cn(C)c3c(=O)[nH]ccc23)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1
|
C30H28N6O3S 552.660000 |
LMLIBNUOIWAJFC-UHFFFAOYSA-N | O15164, Q09472, Q12830, Q92793, Q92831 | CREB-binding protein, Nucleosome-remodeling factor subunit BPTF, Histone acetyltransferase p300, Histone acetyltransferase KAT2B, Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50539801; PubChem:CID146036007
|
Local ready
Direct docking supported
|
|
E3L059874
BDB059874
|
BDBM50539901
C=CC(=O)Nc1cccc(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)c1
|
C21H22N4O3S2 442.566000 |
HMAJGFYNRRZUJX-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50539901; PubChem:CID137358277
|
Local ready
Direct docking supported
|
|
E3L059875
BDB059875
|
BDBM50539902
C=CC(=O)Nc1ccc(C(=O)N2CCCC(C(=O)Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1
|
C27H31N5O4S2 553.710000 |
HTFBNTYFTGIOEK-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50539902; PubChem:CID137358146
|
Local ready
Direct docking supported
|
|
E3L059876
BDB059876
|
BDBM50539903
C=CC(=O)N1CCC(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CC1
|
C20H26N4O3S2 434.587000 |
WAFHXBBZJZYUIJ-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50539903; PubChem:CID118418553
|
Local ready
Direct docking supported
|
|
E3L059877
BDB059877
|
BDBM50539904
C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1
|
C26H31N5O3S2 525.700000 |
COGUZYALRYMQTD-LJQANCHMSA-N | P51948 | Cyclin-H |
BindingDB
BindingDB:BDBM50539904
|
Local ready
Direct docking supported
|
|
E3L059878
BDB059878
|
BDBM50539905
C=CC(=O)Nc1ccc(C(=O)N2CCC[C@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1
|
C26H31N5O3S2 525.700000 |
COGUZYALRYMQTD-IBGZPJMESA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50539905; PubChem:CID145749923
|
Local ready
Direct docking supported
|
|
E3L059879
BDB059879
|
BDBM50539906
C=CC(=O)Nc1ccc(NC2CCCC(Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1
|
C26H33N5O2S2 511.717000 |
KHUWOOWXQFGVBZ-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50539906; PubChem:CID137358323
|
Local ready
Direct docking supported
|
|
E3L059880
BDB059880
|
BDBM50539907
C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)[C@H]2C)cc1
|
C27H33N5O3S2 539.727000 |
UYZMRCLCECMQPF-YLJYHZDGSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50539907; PubChem:CID146646288
|
Local ready
Direct docking supported
|