| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L057761
BDB057761
|
BDBM50495459
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CSC2(CC2)[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H]1N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C2CCCCC2)CSC12CC2)C1CCCCC1
|
C60H78N8O8S2 1103.466000 |
CLINJFPEFBJRHS-SSYCVUOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50495459
|
Local ready
Direct docking supported
|
|
E3L057762
BDB057762
|
BDBM50495460
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CSC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CSCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1)C1CCCCC1
|
C56H74N8O8S2 1051.390000 |
NUQXRCUXAGTJFQ-SEIFYMAFSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50495460
|
Local ready
Direct docking supported
|
|
E3L057763
BDB057763
|
BDBM50495461
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCNCC1)C1CCNCC1
|
C56H76N10O8 1017.286000 |
RBZBHDWFJPJUCL-SEIFYMAFSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50495461
|
Local ready
Direct docking supported
|
|
E3L057764
BDB057764
|
BDBM50495462
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(C)(C)C
|
C54H74N8O8 963.234000 |
YJLHAVCBMPSMFN-URPJFFLJSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM50495462
|
Local ready
Direct docking supported
|
|
E3L057765
BDB057765
|
BDBM50495463
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCN(CC#CC#CCN2CC[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C3CCCCC3)c3ccccc32)c2ccccc21)C1CCCCC1
|
C58H80N10O6 1013.342000 |
YHYIZVLBBNMIDE-RTEPGWBGSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50495463
|
Local ready
Direct docking supported
|
|
E3L057766
BDB057766
|
BDBM50495464
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2CC[C@H]1OCC#CC#CCO[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(C)(C)C
|
C56H78N8O8 991.288000 |
UFQXTNWHNXJMSQ-RKWXVJGBSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50495464
|
Local ready
Direct docking supported
|
|
E3L057767
BDB057767
|
BDBM50495465
CN[C@@H](C)C(=O)N[C@H](C(=O)N1[C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2OCC#CC#CCO[C@@H]2Cc3ccccc3[C@@H]2NC(=O)[C@@H]2C[C@@H]3C[C@@H]3N2C(=O)[C@@H](NC(=O)[C@H](C)NC)C2CCCCC2)C[C@@H]2C[C@@H]21)C1CCCCC1
|
C60H78N8O8 1039.332000 |
TXZDEORYKQDMGZ-UCCYDSEHSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50495465
|
Local ready
Direct docking supported
|
|
E3L057768
BDB057768
|
BDBM50495466
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2CC[C@@H]1OCC#CC#CCO[C@H]1CCc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(C)(C)C
|
C56H78N8O8 991.288000 |
UFQXTNWHNXJMSQ-QTVRITCNSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50495466
|
Local ready
Direct docking supported
|
|
E3L057769
BDB057769
|
BDBM50495467
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCN(CCO)CC1)C1CCN(CCO)CC1
|
C60H84N10O10 1105.392000 |
XFASPMNOOFKJRC-HFYWRKIQSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50495467
|
Local ready
Direct docking supported
|
|
E3L057770
BDB057770
|
BDBM50495468
N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccnc(-c3cc(C(=O)O)ccn3)c2)cc1
|
C21H18N4O3 374.400000 |
WUBIIGDBLTUSQG-DLBZAZTESA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50495468; PubChem:CID76317453
|
Local ready
Direct docking supported
|
|
E3L057771
BDB057771
|
BDBM50495469
N[C@H]1C[C@@H]1c1ccc(NC(=O)CCCNC(=O)c2ccc(O)c3ncccc23)cc1
|
C23H24N4O3 404.470000 |
OMBZNTKMLFHSGX-MOPGFXCFSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50495469; PubChem:CID76321185
|
Local ready
Direct docking supported
|
|
E3L057772
BDB057772
|
BDBM50495470
N[C@H]1C[C@@H]1c1ccc(NC(=O)CCCCNC(=O)c2ccc(O)c3ncccc23)cc1
|
C24H26N4O3 418.497000 |
ZKXRMVPKZXWMHF-UXHICEINSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50495470; PubChem:CID76335653
|
Local ready
Direct docking supported
|
|
E3L057773
BDB057773
|
BDBM50495471
COC(=O)c1ccnc(-c2cc(C(=O)Nc3ccc([C@@H]4C[C@H]4N)cc3)ccn2)c1
|
C22H20N4O3 388.427000 |
ZITCWQYXADVWFX-ZWKOTPCHSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50495471; PubChem:CID76321187
|
Local ready
Direct docking supported
|
|
E3L057774
BDB057774
|
BDBM50495472
N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(O)c3ncccc23)cc1
|
C19H17N3O2 319.364000 |
VISDQYOXQLXIFC-JKSUJKDBSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50495472; PubChem:CID76310232
|
Local ready
Direct docking supported
|
|
E3L057775
BDB057775
|
BDBM50495473
N[C@H]1C[C@@H]1c1ccc(NC(=O)CCCCCNC(=O)c2ccc(O)c3ncccc23)cc1
|
C25H28N4O3 432.524000 |
VOPRZOAUHMPYOS-RTWAWAEBSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50495473; PubChem:CID76328367
|
Local ready
Direct docking supported
|
|
E3L057776
BDB057776
|
BDBM50496336
N#Cc1ccc(OCCCN2CCC(C(O)(c3ccccc3)C3CCCCC3)CC2)cc1
|
C28H36N2O2 432.608000 |
LBGOREZSMURYIQ-UHFFFAOYSA-N | Q03164 | Menin |
BindingDB, PubChem
BindingDB:BDBM50496336; PubChem:CID46926634
|
Local ready
Direct docking supported
|
|
E3L057777
BDB057777
|
BDBM50496337
N#Cc1ccc(OCCCN2CCC(C(O)(c3ccccc3)C3CC3)CC2)cc1
|
C25H30N2O2 390.527000 |
SZRJACHFBPNVHW-UHFFFAOYSA-N | Q03164 | Menin |
BindingDB, PubChem
BindingDB:BDBM50496337; PubChem:CID46926616
|
Local ready
Direct docking supported
|
|
E3L057778
BDB057778
|
BDBM50496338
CCCCC(O)(c1ccccc1)C1CCN(CCCOc2ccc(C#N)cc2)CC1
|
C26H34N2O2 406.570000 |
JJAPANZDGHTBJO-UHFFFAOYSA-N | Q03164 | Menin |
BindingDB, PubChem
BindingDB:BDBM50496338; PubChem:CID46926614
|
Local ready
Direct docking supported
|
|
E3L057779
BDB057779
|
[1-(3-Phenoxypropyl)-4-piperidinyl]-diphenylmethanol
OC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccccc2)CC1
|
C27H31NO2 401.550000 |
CDZBEJLJZGBKFJ-UHFFFAOYSA-N | Q03164 | Menin |
BindingDB, PubChem
BindingDB:BDBM50496339; PubChem:CID23036271
|
Local ready
Direct docking supported
|
|
E3L057780
BDB057780
|
BDBM50496342
N#Cc1ccc(OCC(O)CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
|
C28H30N2O3 442.559000 |
FUXZYKBZWQNXAX-UHFFFAOYSA-N | Q03164 | Menin |
BindingDB, PubChem
BindingDB:BDBM50496342; PubChem:CID4831277
|
Local ready
Direct docking supported
|