| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003021
BDB003021
|
BDBM57589
COc1ccc(CNC(=O)c2c(C)oc3c2C(=O)c2ccccc2C3=O)cc1
|
C22H17NO5 375.380000 |
XQTWWQCHTYENDU-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM57589; PubChem:CID2142305
|
Local ready
Direct docking supported
|
|
E3L003022
BDB003022
|
BDBM57870
CCN1/C(=C/c2ccc3cc(C)ccc3[n+]2CC)Sc2ccc3sccc3c21
|
C24H23N2S2+ 403.596000 |
HYTRMIPQAWZIIM-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM57870; PubChem:CID4264364
|
Local ready
Direct docking supported
|
|
E3L003023
BDB003023
|
BDBM58032
Cc1[nH]c2ccccc2c1C(C#N)(C#N)C1C(=O)c2ccccc2C1=O
|
C21H13N3O2 339.354000 |
STVUWNZRVYWDSV-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM58032; PubChem:CID582632
|
Local ready
Direct docking supported
|
|
E3L003024
BDB003024
|
BDBM58061
CCCCC[n+]1ccn(C2=C([N-]S(=O)(=O)c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)c1
|
C24H22BrN3O4S 528.428000 |
CXWJBYBYQKLQSF-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM58061; PubChem:CID1918124
|
Local ready
Direct docking supported
|
|
E3L003025
BDB003025
|
BDBM58062
CC(C)CC[n+]1ccn(C2=C([N-]S(=O)(=O)c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)c1
|
C24H22BrN3O4S 528.428000 |
DEIIGBDZWZUVEH-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM58062; PubChem:CID1868991
|
Local ready
Direct docking supported
|
|
E3L003026
BDB003026
|
BDBM58130
Cc1cc(N=NC(C)c2ccccc2O)nc(-c2ccccc2O)n1
|
C19H18N4O2 334.379000 |
MFHDZZQMIKLPRY-UHFFFAOYSA-N | O15151, Q99728 | BRCA1-associated RING domain protein 1, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM58130; PubChem:CID136664507
|
Local ready
Direct docking supported
|
|
E3L003027
BDB003027
|
BDBM58367
CCCCCCCCCCC[N+](C)(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21
|
C29H41ClNS+ 471.174000 |
HLWMCPSTLLDCQY-UQQQWYQISA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM58367; PubChem:CID17573520
|
Local ready
Direct docking supported
|
|
E3L003028
BDB003028
|
BDBM58573
COc1cc(/C=C/c2cc[n+](C)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1
|
C23H21Cl2N2O3+ 444.338000 |
QRTLXOJEXKEIDT-ONEGZZNKSA-O | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM58573; PubChem:CID6489897
|
Local ready
Direct docking supported
|
|
E3L003029
BDB003029
|
Cetyltrimethylammonium
CCCCCCCCCCCCCCCC[N+](C)(C)C
|
C19H42N+ 284.552000 |
RLGQACBPNDBWTB-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM58941; PubChem:CID2681
|
Local ready
Direct docking supported
|
|
E3L003030
BDB003030
|
Thonzonium
CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1
|
C32H55N4O+ 511.819000 |
IOYZYMQFUSNATM-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM59083; PubChem:CID5456
|
Local ready
Direct docking supported
|
|
E3L003031
BDB003031
|
Alexidine
CCCCC(CC)CN=C(N)NC(N)=NCCCCCCN=C(N)NC(N)=NCC(CC)CCCC
|
C26H56N10 508.804000 |
LFVVNPBBFUSSHL-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM59086; PubChem:CID2090
|
Local ready
Direct docking supported
|
|
E3L003032
BDB003032
|
1,4-Dimethyoxy-9(10H)-acridinone
COc1ccc(OC)c2c(=S)c3ccccc3[nH]c12
|
C15H13NO2S 271.341000 |
KFAKESMKRPNZTM-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM59089; PubChem:CID3004085
|
Local ready
Direct docking supported
|
|
E3L003033
BDB003033
|
BDBM59334
CN1CCN(C(=O)Cc2nc3ccccc3[nH]2)CC1
|
C14H18N4O 258.325000 |
DLQFXQXOPWYPBX-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59334; PubChem:CID645795
|
Local ready
Direct docking supported
|
|
E3L003034
BDB003034
|
3-(2,3-Dihydro-1H-indol-1-yl)propanoic acid
O=C(O)CCN1CCc2ccccc21
|
C11H13NO2 191.230000 |
QDQAXSGZAIUCQW-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59335; PubChem:CID647211
|
Local ready
Direct docking supported
|
|
E3L003035
BDB003035
|
BDBM59336
Cc1cccc(N(CC(N)=O)c2sc(=O)n(-c3ccccc3)c2O)c1
|
C18H17N3O3S 355.419000 |
WAMHTCGNNHWWHR-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59336; PubChem:CID91897397
|
Local ready
Direct docking supported
|
|
E3L003036
BDB003036
|
BDBM59337
CCn1/c(=N/c2ccc(N3CCOCC3)cc2)ccc2ccccc21
|
C21H23N3O 333.435000 |
IVJWBCSSICFRKG-QURGRASLSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM59337
|
Local ready
Direct docking supported
|
|
E3L003037
BDB003037
|
BDBM59338
COc1ccc(NC(=O)N2CCC(c3nc(-c4cccs4)no3)CC2)cc1
|
C19H20N4O3S 384.461000 |
XAWDENRWBJEAHC-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59338; PubChem:CID653964
|
Local ready
Direct docking supported
|
|
E3L003038
BDB003038
|
BDBM59339
Cc1cc(C)nc(N2CCCC(C(=O)Nc3cc(F)ccc3C)C2)n1
|
C19H23FN4O 342.418000 |
IQSQRDAOUPQSCU-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59339; PubChem:CID654105
|
Local ready
Direct docking supported
|
|
E3L003039
BDB003039
|
BDBM59340
CC1(C(=O)N(c2ccccc2)C(C(=O)NC2CCCC2)c2ccccn2)CC(=O)N=C2C=CC=CN21
|
C28H29N5O3 483.572000 |
DSTWXPFBBCAQMC-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59340; PubChem:CID654930
|
Local ready
Direct docking supported
|
|
E3L003040
BDB003040
|
BDBM59341
COCCn1nnnc1C(C(C)C)N(Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O
|
C26H32N6O3 476.581000 |
BAEHVPUBEMATDF-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59341; PubChem:CID656364
|
Local ready
Direct docking supported
|