| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002981
BDB002981
|
BDBM52897
COC(=O)CCC(=O)OC1(C)C(=O)C2=CN(CCCOC(C)C)C(c3ccc(OC)cc3)=CC2=C(Br)C1=O
|
C28H32BrNO8 590.467000 |
GPGQWVVPGUBEHR-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM52897; PubChem:CID16745760
|
Local ready
Direct docking supported
|
|
E3L002982
BDB002982
|
N8,N8,3-Trimethyl-2,8-phenazinediamine
Cc1cc2nc3ccc(N(C)C)cc3nc2cc1N
|
C15H16N4 252.321000 |
GLVRJEJEXGVOMJ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM53017; PubChem:CID11106
|
Local ready
Direct docking supported
|
|
E3L002983
BDB002983
|
BDBM53102
C/N=c1\ccc2nc3ccccc3n(C)c-2c1
|
C14H13N3 223.279000 |
TYWBPEJQINSBBI-XNTDXEJSSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB
BindingDB:BDBM53102
|
Local ready
Direct docking supported
|
|
E3L002984
BDB002984
|
BDBM53105
Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)NCCCN(C)C)cc1
|
C26H28N4O5 476.533000 |
AAVOXWIZJYSGEP-XLNRJJMWSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM53105; PubChem:CID2131982
|
Local ready
Direct docking supported
|
|
E3L002985
BDB002985
|
BDBM53136
CCOc1ccc2nc3cc(NCc4ccc(OC)cc4)ccc3c(N)c2c1
|
C23H23N3O2 373.456000 |
MBYJRMQOVNDORI-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM53136; PubChem:CID2885134
|
Local ready
Direct docking supported
|
|
E3L002986
BDB002986
|
1,3-Dihydrobenzo[f]benzimidazole-2,4,9-trione
O=C1c2ccccc2C(=O)c2[nH]c(=O)[nH]c21
|
C11H6N2O3 214.180000 |
NVAHNAFJSDAVNN-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM53141; PubChem:CID916230
|
Local ready
Direct docking supported
|
|
E3L002987
BDB002987
|
3,6-Bis(furan-2-yl)-1,2,4,5-tetrazine
c1coc(-c2nnc(-c3ccco3)nn2)c1
|
C10H6N4O2 214.184000 |
WBVSZPHBBYURDY-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM53174; PubChem:CID2554659
|
Local ready
Direct docking supported
|
|
E3L002988
BDB002988
|
BDBM53185
O=Cc1ccc2cccc3c2c1NC(C(F)(F)F)=N3
|
C13H7F3N2O 264.206000 |
FRZCJQMDGWOKDO-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB
BindingDB:BDBM53185
|
Local ready
Direct docking supported
|
|
E3L002989
BDB002989
|
Umi-77
O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
|
C18H14BrNO5S2 468.350000 |
WUGANDSUVKXMEC-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM53290; PubChem:CID992586
|
Local ready
Direct docking supported
|
|
E3L002990
BDB002990
|
BDBM53402
C[C@@]12CCC=C[C@H]1[C@H](c1ccc3ccccc3c1Br)N(Cc1ccccc1)C2=O
|
C26H24BrNO 446.388000 |
MKUQHWSYDVIMFL-LLZJGCNPSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM53402; PubChem:CID16060474
|
Local ready
Direct docking supported
|
|
E3L002991
BDB002991
|
4-Cyclohexyl-2-phenylquinazoline
c1ccc(-c2nc(C3CCCCC3)c3ccccc3n2)cc1
|
C20H20N2 288.394000 |
PZXJVBUHBNWQIT-UHFFFAOYSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM53421; PubChem:CID23640938
|
Local ready
Direct docking supported
|
|
E3L002992
BDB002992
|
4-(1-Piperidinyl)-1,2-naphthalenedione
O=C1C=C(N2CCCCC2)c2ccccc2C1=O
|
C15H15NO2 241.290000 |
CJXORYYEEAJZSR-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM53434; PubChem:CID3393623
|
Local ready
Direct docking supported
|
|
E3L002993
BDB002993
|
2,4-Dibromo-6-[(quinolin-8-ylamino)methyl]phenol
Oc1c(Br)cc(Br)cc1CNc1cccc2cccnc12
|
C16H12Br2N2O 408.093000 |
JOJRFRAIADIHPT-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM53457; PubChem:CID1994749
|
Local ready
Direct docking supported
|
|
E3L002994
BDB002994
|
N-1,3-benzodioxol-5-yl-N'-(1-benzyl-4-piperidinyl)urea
O=C(Nc1ccc2c(c1)OCO2)NC1CCN(Cc2ccccc2)CC1
|
C20H23N3O3 353.422000 |
ZVMREXLJGLBENK-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM53556; PubChem:CID2211100
|
Local ready
Direct docking supported
|
|
E3L002995
BDB002995
|
BDBM53601
O=C(N[N-][CH+]c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccnc1
|
C17H12N4O4 336.307000 |
DSNVGTOOEYTJFH-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB
BindingDB:BDBM53601
|
Local ready
Direct docking supported
|
|
E3L002996
BDB002996
|
BDBM53804
[O]C(=O)c1ccc([C]Oc2ccccc2[C]=C2C(=O)c3ccccc3C2=O)cc1
|
C24H12O5 380.355000 |
LICZRKRQRQJWAW-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM53804
|
Local ready
Direct docking supported
|
|
E3L002997
BDB002997
|
BDBM54198
CCCCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O
|
C17H17N3O 279.343000 |
QKRFNJZLDFJRQC-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM54198; PubChem:CID2133311
|
Local ready
Direct docking supported
|
|
E3L002998
BDB002998
|
BDBM54364
CCC(C)(C)c1ccc(OCCCC[n+]2cccc(C)c2C)c(C(C)(C)CC)c1
|
C27H42NO+ 396.639000 |
FBKDVLVCTRMCFG-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM54364; PubChem:CID1621272
|
Local ready
Direct docking supported
|
|
E3L002999
BDB002999
|
4-Morpholin-4-ylnaphthalene-1,2-dione
O=C1C=C(N2CCOCC2)c2ccccc2C1=O
|
C14H13NO3 243.262000 |
CGVPOLUKPMAOAN-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM54416; PubChem:CID272529
|
Local ready
Direct docking supported
|
|
E3L003000
BDB003000
|
BDBM54680
O=C1Nc2ccc(Br)cc2C1=C1Nc2ccccc2C1=O
|
C16H9BrN2O2 341.164000 |
IEQQJQHHJMQETK-UHFFFAOYSA-N | P21583 | Kit ligand |
BindingDB
BindingDB:BDBM54680
|
Local ready
Direct docking supported
|