| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L016601
BDB016601
|
US10239861, Example 56
Cn1ncc(NC2CCCN(Cc3ccc(F)cc3)C2)c(Cl)c1=O
|
C17H20ClFN4O 350.825000 |
HAJDMVOUJGHBCO-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM371576; PubChem:CID121476442
|
Local ready
Direct docking supported
|
|
E3L016602
BDB016602
|
US10239861, Example 57
CN1CCCC[C@H](Nc2cnn(C)c(=O)c2Cl)C1
|
C12H19ClN4O 270.764000 |
FFWRQIIGTISRFA-VIFPVBQESA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM371577; PubChem:CID121472625
|
Local ready
Direct docking supported
|
|
E3L016603
BDB016603
|
US10239861, Example 58
CN1CCCC[C@@H](Nc2cnn(C)c(=O)c2Cl)C1
|
C12H19ClN4O 270.764000 |
FFWRQIIGTISRFA-SECBINFHSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM371578; PubChem:CID121472670
|
Local ready
Direct docking supported
|
|
E3L016604
BDB016604
|
BDBM373122
Cn1cnc(-c2cc(-c3nn[nH]c3C#N)ccn2)c1-c1ccc(F)cc1OCC1CC1
|
C22H18FN7O 415.432000 |
ITGGNHLGYPVAEF-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM373122; PubChem:CID118956771
|
Local ready
Direct docking supported
|
|
E3L016605
BDB016605
|
BDBM373162
FC(F)(F)COc1ccccc1Cn1cnc(-c2cc(-c3nn[nH]c3C(F)(F)F)ccn2)c1
|
C20H14F6N6O 468.361000 |
WHMPVBWIYHEQGL-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM373162; PubChem:CID121454398
|
Local ready
Direct docking supported
|
|
E3L016606
BDB016606
|
BDBM373163
Fc1ccc(CCn2cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c2)cc1
|
C19H14F4N6 402.355000 |
JIJUDABPAABLQY-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM373163; PubChem:CID121454346
|
Local ready
Direct docking supported
|
|
E3L016607
BDB016607
|
Repotrectinib
C[C@H]1CNC(=O)c2cnn3ccc(nc23)N[C@H](C)c2cc(F)ccc2O1
|
C18H18FN5O2 355.373000 |
FIKPXCOQUIZNHB-WDEREUQCSA-N | Q9HC35 | ALK tyrosine kinase receptor |
BindingDB, PubChem
BindingDB:BDBM374727; PubChem:CID135565923
|
Local ready
Direct docking supported
|
|
E3L016608
BDB016608
|
US10246467, Example I-1
O=C(O)c1ccc2c3n(nc2c1)[C@@H]1[C@H](CO3)N(CC2CC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C30H23Cl2FN4O4 593.442000 |
YZMITHOPDOPJBH-HLNVOFQHSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374730; PubChem:CID130376431
|
Local ready
Direct docking supported
|
|
E3L016609
BDB016609
|
US10246467, Example I-3
O=C(O)c1ccc2c3n(nc2c1)[C@H]1[C@@H](CO3)N(CC2CC2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H]1c1cccc(Cl)c1F
|
C30H23Cl2FN4O4 593.442000 |
YZMITHOPDOPJBH-NFDQLLMUSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374732; PubChem:CID130376432
|
Local ready
Direct docking supported
|
|
E3L016610
BDB016610
|
US10246467, Example I-4
O=C(O)c1ccc2nn3c(c2c1)OC[C@H]1[C@@H]3[C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc32)N1CC1CC1
|
C30H23Cl2FN4O4 593.442000 |
JJCQXIRROLOGAC-HLNVOFQHSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374733; PubChem:CID130376433
|
Local ready
Direct docking supported
|
|
E3L016611
BDB016611
|
US10246467, Example I-6
O=C(O)c1ccc2nn3c(c2c1)OC[C@@H]1[C@H]3[C@@H](c2cccc(Cl)c2F)[C@@]2(C(=O)Nc3cc(Cl)ccc32)N1CC1CC1
|
C30H23Cl2FN4O4 593.442000 |
JJCQXIRROLOGAC-NFDQLLMUSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374735; PubChem:CID130376434
|
Local ready
Direct docking supported
|
|
E3L016612
BDB016612
|
US10246467, Example I-7
COc1cc2c3n(nc2cc1C(=O)O)[C@@H]1[C@H](CO3)N(CC2CC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C31H25Cl2FN4O5 623.468000 |
XUVCZAVRKYNTAO-RXRCSWILSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374736; PubChem:CID130376344
|
Local ready
Direct docking supported
|
|
E3L016613
BDB016613
|
US10246467, Example I-9
COc1cc2c3n(nc2cc1C(=O)O)[C@H]1[C@@H](CO3)N(CC2CC2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H]1c1cccc(Cl)c1F
|
C31H25Cl2FN4O5 623.468000 |
XUVCZAVRKYNTAO-OVRLWXHPSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374738; PubChem:CID118895882
|
Local ready
Direct docking supported
|
|
E3L016614
BDB016614
|
US10246467, Example I-10
COc1cc2nn3c(c2cc1C(=O)O)OC[C@H]1[C@@H]3[C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc32)N1CC1CC1
|
C31H25Cl2FN4O5 623.468000 |
JURMESUCSRKLSS-RXRCSWILSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374739; PubChem:CID130376435
|
Local ready
Direct docking supported
|
|
E3L016615
BDB016615
|
US10246467, Example I-12
COc1cc2nn3c(c2cc1C(=O)O)OC[C@@H]1[C@H]3[C@@H](c2cccc(Cl)c2F)[C@@]2(C(=O)Nc3cc(Cl)ccc32)N1CC1CC1
|
C31H25Cl2FN4O5 623.468000 |
JURMESUCSRKLSS-OVRLWXHPSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374741; PubChem:CID130376436
|
Local ready
Direct docking supported
|
|
E3L016616
BDB016616
|
US10246467, Example I-13
CS(=O)(=O)c1ccc2c3n(nc2c1)[C@@H]1[C@H](CO3)N(CC2CC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C30H25Cl2FN4O4S 627.525000 |
VDSFSAYTPKMMRH-VBVRERCOSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374742; PubChem:CID130376437
|
Local ready
Direct docking supported
|
|
E3L016617
BDB016617
|
US10246467, Example I-15
CS(=O)(=O)c1ccc2c3n(nc2c1)[C@H]1[C@@H](CO3)N(CC2CC2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H]1c1cccc(Cl)c1F
|
C30H25Cl2FN4O4S 627.525000 |
VDSFSAYTPKMMRH-RRRLRPSDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374744; PubChem:CID130376438
|
Local ready
Direct docking supported
|
|
E3L016618
BDB016618
|
US10246467, Example I-16
COc1cc2nn3c(c2cc1C#N)OC[C@H]1[C@@H]3[C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc32)N1CC1CC1
|
C31H24Cl2FN5O3 604.469000 |
DBQQVGHPOOQHRX-XYKPQQNDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374745; PubChem:CID130376440
|
Local ready
Direct docking supported
|
|
E3L016619
BDB016619
|
US10246467, Example I-28
C[C@H]1Oc2c3ccc(C(=O)O)cc3nn2[C@@H]2[C@H]1N(CC1CC1)[C@@]1(C(=O)Nc3cc(Cl)ccc31)[C@H]2c1cccc(Cl)c1F
|
C31H25Cl2FN4O4 607.469000 |
SDVAEDVASKNSQX-CPMVGPJYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374746; PubChem:CID130376445
|
Local ready
Direct docking supported
|
|
E3L016620
BDB016620
|
US10246467, Example I-29
C[C@H]1Oc2c3ccc(C(=O)O)cc3nn2[C@H]2[C@@H]1N(CC1CC1)[C@]1(C(=O)Nc3cc(Cl)ccc31)[C@@H]2c1cccc(Cl)c1F
|
C31H25Cl2FN4O4 607.469000 |
SDVAEDVASKNSQX-IREGEPEUSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374747; PubChem:CID130376446
|
Local ready
Direct docking supported
|