| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L023661
BDB023661
|
US11236047, Example 490
CCC(O)(c1cc(F)c2c(c1)C(=O)N(Cc1ncc(C#N)cn1)[C@@]2(O[C@H]1CCOC1)c1ccc(Cl)cc1)c1ccn(C)n1
|
C31H28ClFN6O4 603.054000 |
HYWAMQVGJDJCMR-GMMQIRHLSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM535806; PubChem:CID135283147
|
Local ready
Direct docking supported
|
|
E3L023662
BDB023662
|
US11236092, Example 114
CN1CCN(C(=O)c2cccc(-c3ccc4c(c3)CC3(CCN(C#N)C3)C(=O)N4)c2)CC1
|
C25H27N5O2 429.524000 |
SMMXZGNAAZXLMZ-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM535810; PubChem:CID137378669
|
Local ready
Direct docking supported
|
|
E3L023663
BDB023663
|
US11236092, Example 115
CN1C=CCC1c1ccc2c(c1)CC1(CCN(C#N)C1)C(=O)N2
|
C18H20N4O 308.385000 |
MUAIGAZYKIIREA-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM535835; PubChem:CID163407685
|
Local ready
Direct docking supported
|
|
E3L023664
BDB023664
|
US11236092, Example 135
N#CN1CCC2(Cc3ncc(-c4cccc5[nH]ncc45)cc3NC2=O)C1
|
C19H16N6O 344.378000 |
JVXPZPDHFGEWIG-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM535855; PubChem:CID163407697
|
Local ready
Direct docking supported
|
|
E3L023665
BDB023665
|
US11236092, Example 136
Cn1ncc2c(-c3cnc4c(c3)NC(=O)C3(CCN(C#N)C3)C4)cccc21
|
C20H18N6O 358.405000 |
UFXHSSWVMMPPGX-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM535856; PubChem:CID163407698
|
Local ready
Direct docking supported
|
|
E3L023666
BDB023666
|
US11236092, Example 137
N#CN1CCC2(Cc3ncc(-c4cccc5c4cnn5CCO)cc3NC2=O)C1
|
C21H20N6O2 388.431000 |
RKKWGLWANPLNGH-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM535857; PubChem:CID163407699
|
Local ready
Direct docking supported
|
|
E3L023667
BDB023667
|
US11236092, Example 138
COc1ccc(-c2cnc3c(c2)NC(=O)C2(CCN(C#N)C2)C3)c(C)n1
|
C19H19N5O2 349.394000 |
NBWHXOTYTBBNGA-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM535858; PubChem:CID163407700
|
Local ready
Direct docking supported
|
|
E3L023668
BDB023668
|
US11236092, Example 145
Cc1ccc2[nH]ncc2c1-c1cnc2c(c1)NC(=O)C1(CCN(C#N)C1)C2
|
C20H18N6O 358.405000 |
KMLKBBALXIKKQH-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM535865; PubChem:CID163407701
|
Local ready
Direct docking supported
|
|
E3L023669
BDB023669
|
US11236092, Example 146
Cc1cnn(C)c1-c1cnc2c(c1)NC(=O)C1(CCN(C#N)C1)C2
|
C17H18N6O 322.372000 |
QIWOXTRMFGUEDI-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM535866; PubChem:CID163407702
|
Local ready
Direct docking supported
|
|
E3L023670
BDB023670
|
US11242344, Example 101.1
CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C1=NC(=O)[C@](C)(c2ccc(Br)cc2)N1)C(C)(C)C
|
C22H29BrN4O4 493.402000 |
BXQUIQWJTNLTHH-SVQXRNPESA-N | P40337, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM536170; PubChem:CID157494461
|
Local ready
Direct docking supported
|
|
E3L023671
BDB023671
|
US11242344, Example 120.1
Cc1ncsc1-c1ccc([C@]2(C)NC(C3C[C@@H](O)CN3C(=O)[C@H]3CCCN3S(C)(=O)=O)=NC2=O)cc1
|
C24H29N5O5S2 531.660000 |
JMHDAGHLLTXOHA-YXLVLPGXSA-N | P40337, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM536171; PubChem:CID142572592
|
Local ready
Direct docking supported
|
|
E3L023672
BDB023672
|
US11242344, Example 101.2
CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C1=NC(=O)[C@@](C)(c2ccc(Br)cc2)N1)C(C)(C)C
|
C22H29BrN4O4 493.402000 |
BXQUIQWJTNLTHH-MPWIWIEXSA-N | P40337, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM536172; PubChem:CID157494460
|
Local ready
Direct docking supported
|
|
E3L023673
BDB023673
|
US11242344, Example 101.3
CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@@H]1C1=NC(=O)[C@](C)(c2ccc(Br)cc2)N1)C(C)(C)C
|
C22H29BrN4O4 493.402000 |
BXQUIQWJTNLTHH-WBYLCXCBSA-N | P40337, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM536174; PubChem:CID142572374
|
Local ready
Direct docking supported
|
|
E3L023674
BDB023674
|
US11242344, Example 121.1
CC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)CC1C1=NC(=O)[C@](C)(c2ccc(-c3scnc3C)cc2)N1
|
C25H29N5O4S 495.605000 |
HMFVCLHXOSUBSF-CZXSMGFXSA-N | P40337, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM536175; PubChem:CID142572358
|
Local ready
Direct docking supported
|
|
E3L023675
BDB023675
|
US11242344, Example 101.4
CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@@H]1C1=NC(=O)[C@@](C)(c2ccc(Br)cc2)N1)C(C)(C)C
|
C22H29BrN4O4 493.402000 |
BXQUIQWJTNLTHH-PEOGOYOCSA-N | P40337, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM536176; PubChem:CID142572353
|
Local ready
Direct docking supported
|
|
E3L023676
BDB023676
|
US11242344, Example 102.1
CC(=O)N[C@H](C(=O)N1C[C@H](O)CC1C1=NC(=O)C(C)(c2ccc(-c3scnc3C)cc2)N1)C(C)(C)C
|
C26H33N5O4S 511.648000 |
VFYPZYMRUSSPCB-PFEPVGRASA-N | P40337, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM536178; PubChem:CID162468903
|
Local ready
Direct docking supported
|
|
E3L023677
BDB023677
|
US11242344, Example 122.1
Cc1ncsc1-c1ccc([C@]2(C)NC(C3C[C@@H](O)CN3C(=O)[C@@H]3CCCCN3S(C)(=O)=O)=NC2=O)cc1
|
C25H31N5O5S2 545.687000 |
CALGLVXMWUUKJG-CZXSMGFXSA-N | P40337, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM536179; PubChem:CID142572827
|
Local ready
Direct docking supported
|
|
E3L023678
BDB023678
|
US11242344, Example 102.2
CC(=O)N[C@H](C(=O)N1C[C@H](O)CC1C1=NC(=O)C(C)(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)N1)C(C)(C)C
|
C28H41BN4O6 540.470000 |
VPLHYGGQVCNXMG-KZLMFJTKSA-N | P40337, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM536180; PubChem:CID142572725
|
Local ready
Direct docking supported
|
|
E3L023679
BDB023679
|
US11242344, Example 123.1
Cc1ncsc1-c1ccc([C@]2(C)NC(C3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3Cc4ccccc4C3=O)=NC2=O)cc1
|
C31H33N5O4S 571.703000 |
ZERUXLRPTNAVAJ-HWSSKLHZSA-N | P40337, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM536183; PubChem:CID142572653
|
Local ready
Direct docking supported
|
|
E3L023680
BDB023680
|
US11242344, Example 103.1
Cc1cc(C(C(=O)N2C[C@H](O)C[C@H]2C2=NC(=O)[C@](C)(c3ccc(Br)cc3)N2)C(C)C)on1
|
C23H27BrN4O4 503.397000 |
SSHCSPPIHNOWQB-VQVSVVCGSA-N | P40337, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM536184; PubChem:CID163407770
|
Local ready
Direct docking supported
|