| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003601
BDB003601
|
BDBM80343
Cc1nnc(N=c2ssnc2Cl)o1
|
C5H3ClN4OS2 234.693000 |
QXJVAZJQJDPXQL-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM80343; PubChem:CID44143153
|
Local ready
Direct docking supported
|
|
E3L003602
BDB003602
|
BDBM81027
CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c(C(C(C)=O)C(=O)O)c(Br)c(O)c(O)c12
|
C23H22BrNO7 504.333000 |
UOGZZDLPFGQPGB-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM81027; PubChem:CID11948749
|
Local ready
Direct docking supported
|
|
E3L003603
BDB003603
|
BDBM81149
CN(C)C=Nc1ccc2nc3c(cc2c1)[nH]c1ccccc13
|
C18H16N4 288.354000 |
SQHHJMPTQRVEFP-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM81149; PubChem:CID2882843
|
Local ready
Direct docking supported
|
|
E3L003604
BDB003604
|
Flupirtine
CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N
|
C15H17FN4O2 304.325000 |
JUUFBMODXQKSTD-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM81199; PubChem:CID53276
|
Local ready
Direct docking supported
|
|
E3L003605
BDB003605
|
Benzyl-(6-ethoxy-1-isopropyl-benzimidazol-4-yl)amine
CCOc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
|
C19H23N3O 309.413000 |
KEHHITQKYDEZMU-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM81206; PubChem:CID44143057
|
Local ready
Direct docking supported
|
|
E3L003606
BDB003606
|
BDBM81552
CN1C(=O)c2ccccc2N(C)c2nc(Nc3ccc(N4CCC(O)CC4)cc3)ncc21
|
C24H26N6O2 430.512000 |
DFQAJLQXPSPNJE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM81552; PubChem:CID54592204
|
Local ready
Direct docking supported
|
|
E3L003607
BDB003607
|
Kynurenic Acid
O=C(O)c1cc(O)c2ccccc2n1
|
C10H7NO3 189.170000 |
HCZHHEIFKROPDY-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM81975; PubChem:CID3845
|
Local ready
Direct docking supported
|
|
E3L003608
BDB003608
|
Acetoxyacetic acid
CC(=O)OCC(=O)O
|
C4H6O4 118.088000 |
MLXDUYUQINCFFV-UHFFFAOYSA-N | P19021 | Peptidyl-glycine alpha-amidating monooxygenase |
BindingDB, PubChem
BindingDB:BDBM82195; PubChem:CID83766
|
Local ready
Direct docking supported
|
|
E3L003609
BDB003609
|
3-(4-bromophenyl)sulfonyl-N-(2-ethoxyphenyl)propanamide
CCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1
|
C17H18BrNO4S 412.305000 |
VDSJFJQZLJJUMG-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM82950; PubChem:CID4109093
|
Local ready
Direct docking supported
|
|
E3L003610
BDB003610
|
BDBM83317
Cc1cc(N2CCN(c3ccc([N+](=O)[O-])c4cccnc34)CC2)c2ccccc2n1
|
C23H21N5O2 399.454000 |
BDDPXUZRHMQXHU-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83317; PubChem:CID2885420
|
Local ready
Direct docking supported
|
|
E3L003611
BDB003611
|
BDBM83342
CN1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)cc2)CC1
|
C22H22BrN3O2 440.341000 |
PXUMPNLLASGJTF-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83342; PubChem:CID1017506
|
Local ready
Direct docking supported
|
|
E3L003612
BDB003612
|
9-(2-p-Tolyloxy-ethyl)-9H-purin-6-ylamine
Cc1ccc(OCCn2cnc3c(N)ncnc32)cc1
|
C14H15N5O 269.308000 |
WQRGFXWTNZARPJ-UHFFFAOYSA-N | Q9BZ95 | Histone-lysine N-methyltransferase NSD3 |
BindingDB, PubChem
BindingDB:BDBM83746; PubChem:CID584317
|
Local ready
Direct docking supported
|
|
E3L003613
BDB003613
|
BDBM83875
c1ccc(C(c2nnnn2C2CCCCC2)N2CCc3ccccc3C2)nc1
|
C22H26N6 374.492000 |
NAOKADXNRCMONT-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83875; PubChem:CID652210
|
Local ready
Direct docking supported
|
|
E3L003614
BDB003614
|
BDBM83876
CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)C1CCCCC1
|
C20H26N2O2 326.440000 |
XHPZESBNJWINIK-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83876; PubChem:CID664599
|
Local ready
Direct docking supported
|
|
E3L003615
BDB003615
|
BDBM83877
COc1ccc(-c2nc3nc(C)c(Cc4ccccc4)c(=O)n3[nH]2)cc1
|
C20H18N4O2 346.390000 |
ZVROFUDENGUKHP-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83877; PubChem:CID667143
|
Local ready
Direct docking supported
|
|
E3L003616
BDB003616
|
BDBM83878
Cc1ccc(-c2nn3c(C)nnc3c3ccccc23)cc1S(=O)(=O)NCc1ccco1
|
C22H19N5O3S 433.493000 |
KIBDGEKEEADUBL-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83878; PubChem:CID1251486
|
Local ready
Direct docking supported
|
|
E3L003617
BDB003617
|
4-[(4-Ethylbenzyl)amino]phenol
CCc1ccc(CNc2ccc(O)cc2)cc1
|
C15H17NO 227.307000 |
DKKYUXYUADHFGE-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83879; PubChem:CID833970
|
Local ready
Direct docking supported
|
|
E3L003618
BDB003618
|
BDBM83880
Clc1ccccc1OCc1nn2c(-c3ccncc3)nnc2s1
|
C15H10ClN5OS 343.799000 |
DXNMUBNAFDVBEY-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83880; PubChem:CID1234091
|
Local ready
Direct docking supported
|
|
E3L003619
BDB003619
|
BDBM83881
COc1ccccc1N1CCN(C(c2cccs2)C(C)NS(=O)(=O)c2ccccc2)CC1
|
C24H29N3O3S2 471.648000 |
CSEFYVKZPKHWJA-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83881; PubChem:CID5310496
|
Local ready
Direct docking supported
|
|
E3L003620
BDB003620
|
2-(naphthalen-1-yl)-2H-benzo[d][1,2,3]triazol-5-amine
Nc1ccc2nn(-c3cccc4ccccc34)nc2c1
|
C16H12N4 260.300000 |
YMGWUQOUHMKTFE-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83882; PubChem:CID721129
|
Local ready
Direct docking supported
|