| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L061681
BDB061681
|
BDBM50584855
CC(=O)c1ccc(-c2cccc3c2CSC[C@H](C(=O)N(C)C)NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(C)=O)COC3=O)cc1
|
C31H36N4O7S 608.717000 |
CNVFDEAMCBTNIH-PFBJBMPXSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50584855
|
Local ready
Direct docking supported
|
|
E3L061682
BDB061682
|
BDBM50584856
CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2cccc(-c3cc(C)c(C(=O)O)c(C)c3)c2CSC[C@H](C(=O)N(C)C)NC1=O
|
C32H38N4O8S 638.743000 |
VLECLGNJJVKOME-CYXNTTPDSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50584856
|
Local ready
Direct docking supported
|
|
E3L061683
BDB061683
|
BDBM50584857
CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2cccc(-c3cc(F)c(C(=O)O)c(F)c3)c2CSC[C@H](C(=O)N(C)C)NC1=O
|
C30H32F2N4O8S 646.669000 |
LOJAQLGCTHYMMK-SMIHKQSGSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50584857
|
Local ready
Direct docking supported
|
|
E3L061684
BDB061684
|
BDBM50584858
CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2cccc(-c3ccc(C(=O)O)c(C)c3)c2CSC[C@H](C(=O)N(C)C)NC1=O
|
C31H36N4O8S 624.716000 |
AVJSDFBGUYPLOH-CYXNTTPDSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50584858
|
Local ready
Direct docking supported
|
|
E3L061685
BDB061685
|
BDBM50584859
COc1cc(-c2cccc3c2CSC[C@H](C(=O)N(C)C)NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(C)=O)COC3=O)ccc1C(=O)O
|
C31H36N4O9S 640.715000 |
LPYVFVOKPKLPHQ-SDHSZQHLSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50584859
|
Local ready
Direct docking supported
|
|
E3L061686
BDB061686
|
BDBM50584860
CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2cccc(-c3ccc(C(=O)O)c(F)c3)c2CSC[C@H](C(=O)N(C)C)NC1=O
|
C30H33FN4O8S 628.679000 |
SWZZTNGTKTVKIT-SDHSZQHLSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50584860
|
Local ready
Direct docking supported
|
|
E3L061687
BDB061687
|
BDBM50584861
CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2cccc(-c3ccc(C(=O)O)c([N+](=O)[O-])c3)c2CSC[C@H](C(=O)N(C)C)NC1=O
|
C30H33N5O10S 655.686000 |
KTMPSBMDNMYFSG-SMIHKQSGSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50584861
|
Local ready
Direct docking supported
|
|
E3L061688
BDB061688
|
BDBM50584862
CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2cccc(-c3ccc(C(=O)O)c(C(F)(F)F)c3)c2CSC[C@H](C(=O)N(C)C)NC1=O
|
C31H33F3N4O8S 678.686000 |
AIWVUCXHATYZQS-SDHSZQHLSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50584862
|
Local ready
Direct docking supported
|
|
E3L061689
BDB061689
|
BDBM50584925
Cc1nnc2c(NC3CCN(CC(C)(C)F)CC3)cc(C(=O)N3[C@@H]4c5ccccc5C[C@H]3C(=O)N[C@@H]4C(C)C)nn12
|
C30H39FN8O2 562.694000 |
NGXAMXNWIHBLBN-JIMJEQGWSA-N | Q09472, Q12830, Q92831 | Histone acetyltransferase p300, Histone acetyltransferase KAT2B, Nucleosome-remodeling factor subunit BPTF |
BindingDB
BindingDB:BDBM50584925
|
Local ready
Direct docking supported
|
|
E3L061690
BDB061690
|
BDBM50584948
CN(C)C(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N[C@H]3CC[C@@H](N)CC3)n2)cc1
|
C20H25F3N6O 422.455000 |
ZFKQQXLECNVLOF-OKILXGFUSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50584948
|
Local ready
Direct docking supported
|
|
E3L061691
BDB061691
|
BDBM50584949
Cn1ccc2cc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)ccc2c1=O
|
C21H23F3N6O 432.450000 |
LSEAQLOYCHTEOK-OKILXGFUSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50584949
|
Local ready
Direct docking supported
|
|
E3L061692
BDB061692
|
BDBM50585045
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]cc(c3c2)-c2cn(nc2C(F)(F)F)CCCC1=O
|
C22H19F3N8O 468.443000 |
CZWJLLBPWLUINU-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50585045
|
Local ready
Direct docking supported
|
|
E3L061693
BDB061693
|
BDBM50585046
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(c3c2)-c2cn(nc2C(F)(F)F)CCCC1=O
|
C22H18F4N8O 486.433000 |
YVQOYBIBWBAHKH-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50585046
|
Local ready
Direct docking supported
|
|
E3L061694
BDB061694
|
BDBM50585598
C[S@@+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
|
C15H22N6O5S 398.445000 |
MEFKEPWMEQBLKI-FCKMPRQPSA-N | Q9BQA1, Q9BZ95 | Protein arginine N-methyltransferase 5, Histone-lysine N-methyltransferase NSD3 |
BindingDB
BindingDB:BDBM50585598
|
Local ready
Direct docking supported
|
|
E3L061695
BDB061695
|
Ret-IN-11
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccc(CC(=O)Nc4cccc(F)c4)cc3)n2)[nH]n1
|
C27H30FN9O 515.597000 |
QJOKMKBZEMLHIM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50585632; PubChem:CID163322146
|
Local ready
Direct docking supported
|
|
E3L061696
BDB061696
|
BDBM50585749
OCc1ccn(-c2ccc(Nc3cc4nc(OC5CCNCC5)ccc4cn3)c(F)c2)n1
|
C23H23FN6O2 434.475000 |
DSHAIQLEQCKJIR-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50585749; PubChem:CID71766886
|
Local ready
Direct docking supported
|
|
E3L061697
BDB061697
|
BDBM50585766
CN1CCC([C@@](C)(O)c2ccc3cnc(Nc4cc(N5CCOCC5)ccc4F)cc3n2)CC1
|
C26H32FN5O2 465.573000 |
LUWQTRGZKXLDSO-AREMUKBSSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50585766; PubChem:CID166627311
|
Local ready
Direct docking supported
|
|
E3L061698
BDB061698
|
BDBM50585767
CC(=O)N1CCN(c2ccc(F)c(Nc3cc4nc([C@](C)(O)C5CCN(C)CC5)ccc4cn3)c2)CC1
|
C28H35FN6O2 506.626000 |
BXQKMGAINGBZAW-MUUNZHRXSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50585767; PubChem:CID166628065
|
Local ready
Direct docking supported
|
|
E3L061699
BDB061699
|
BDBM50585771
CN1CCC([C@@](C)(O)c2ccc3cnc(Nc4cc(N5CCOCC5)ncc4F)cc3n2)CC1
|
C25H31FN6O2 466.561000 |
KFRGPUFONMCXQI-RUZDIDTESA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50585771; PubChem:CID166628927
|
Local ready
Direct docking supported
|
|
E3L061700
BDB061700
|
BDBM50585772
CN1CCC([C@@](C)(O)c2ccc3cnc(Nc4cc(N5CCOCC5)c(C#N)cc4F)cc3n2)CC1
|
C27H31FN6O2 490.583000 |
ODDUUXAHBDCKIJ-HHHXNRCGSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50585772; PubChem:CID162640251
|
Local ready
Direct docking supported
|