| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001861
BDB001861
|
N-cycloheptyl-1H-indazol-6-amine
c1cc2cn[nH]c2cc1NC1CCCCCC1
|
C14H19N3 229.327000 |
FQVOTPQJHZEYQL-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM34645; PubChem:CID868390
|
Local ready
Direct docking supported
|
|
E3L001862
BDB001862
|
4-chloro-N-(4,6-dimethyl-2-pyridinyl)dithiazol-5-imine
Cc1cc(C)nc(N=c2ssnc2Cl)c1
|
C9H8ClN3S2 257.771000 |
AVDSFLMZEWGWOV-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM34648; PubChem:CID757789
|
Local ready
Direct docking supported
|
|
E3L001863
BDB001863
|
Amrinone
Nc1cc(-c2ccncc2)c[nH]c1=O
|
C10H9N3O 187.202000 |
RNLQIBCLLYYYFJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM34651; PubChem:CID3698
|
Local ready
Direct docking supported
|
|
E3L001864
BDB001864
|
BDBM34662
COc1ccc2c(c1)CCC(=CNc1ccc3c(c1)OCO3)C2=O
|
C19H17NO4 323.348000 |
WZOZHZHKQDLOSL-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM34662; PubChem:CID765336
|
Local ready
Direct docking supported
|
|
E3L001865
BDB001865
|
3-Methyltoxoflavin
Cc1nc2c(=O)n(C)c(=O)nc-2n(C)n1
|
C8H9N5O2 207.193000 |
CPXHNWKHOFNPDO-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM34671; PubChem:CID460747
|
Local ready
Direct docking supported
|
|
E3L001866
BDB001866
|
3-(2-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one
Cc1ccccc1-c1cc2c(nn1)-c1ccccc1C2=O
|
C18H12N2O 272.307000 |
KKPUXQRFWHNBLA-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM34674; PubChem:CID2769183
|
Local ready
Direct docking supported
|
|
E3L001867
BDB001867
|
BDBM34676
CCCCCn1c(NC(=O)c2ccco2)c(C(=O)OCC)c2nc3ccccc3nc21
|
C23H24N4O4 420.469000 |
UJQNBLSPRDIGBF-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM34676; PubChem:CID1951332
|
Local ready
Direct docking supported
|
|
E3L001868
BDB001868
|
BDBM34687
CCCCCn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc21
|
C21H23N5OS 393.516000 |
URGDMIFJKCBJNY-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM34687; PubChem:CID1864686
|
Local ready
Direct docking supported
|
|
E3L001869
BDB001869
|
BDBM34692
Cc1ccc(C(=O)c2c(C)oc3c2C(=O)C(=O)c2ccccc2-3)cc1
|
C21H14O4 330.339000 |
LYTUULBNMPEELR-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM34692; PubChem:CID3696529
|
Local ready
Direct docking supported
|
|
E3L001870
BDB001870
|
BDBM34699
N#Cc1c(N2CCCC(O)C2)nc(N)c2c(N)nc3c(c12)CC(=O)N3C12CC3CC(CC(C3)C1)C2
|
C26H31N7O2 473.581000 |
KZXIXPOPZHAIFY-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM34699; PubChem:CID3962922
|
Local ready
Direct docking supported
|
|
E3L001871
BDB001871
|
3-Ethyl-2,5,7-trimethyl-1,3-benzothiazol-3-ium;iodide
CC[n+]1c(C)sc2c(C)cc(C)cc21
|
C12H16NS+ 206.334000 |
DWAYPSLRVMMQPW-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM34719; PubChem:CID807555
|
Local ready
Direct docking supported
|
|
E3L001872
BDB001872
|
3-(Quinolin-6-ylamino)-3H-isobenzofuran-1-one
O=C1OC(Nc2ccc3ncccc3c2)c2ccccc21
|
C17H12N2O2 276.295000 |
GTEDHMHLVXBEGM-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM34722; PubChem:CID3152836
|
Local ready
Direct docking supported
|
|
E3L001873
BDB001873
|
BDBM34732
COc1cc(C(=O)ON=C2C=CC(=O)C(C)=C2)cc(OC)c1OC
|
C17H17NO6 331.324000 |
ZXKWLZOEJKQYPH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM34732
|
Local ready
Direct docking supported
|
|
E3L001874
BDB001874
|
BDBM34745
Oc1ccc(CN=Nc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1O
|
C19H24N6O2 368.441000 |
AGCWYRULQXNHKP-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM34745; PubChem:CID91896216
|
Local ready
Direct docking supported
|
|
E3L001875
BDB001875
|
BDBM34768
COc1ccc(CN=Nc2cc(N(C)C)nc(N(C)C)n2)cc1
|
C16H22N6O 314.393000 |
BBLXPLJXFFEROW-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM34768; PubChem:CID91896219
|
Local ready
Direct docking supported
|
|
E3L001876
BDB001876
|
2-Phenyl-3-(p-tolyl)-1,2,4-thiadiazol-2-ium-5-amine
Cc1ccc(-c2nc(N)s[n+]2-c2ccccc2)cc1
|
C15H14N3S+ 268.365000 |
NKSMZDXKRWEVEK-UHFFFAOYSA-O | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM34786; PubChem:CID509149
|
Local ready
Direct docking supported
|
|
E3L001877
BDB001877
|
BDBM34791
CNc1nc(-c2ccccc2)[n+](-c2ccc(C)cc2)s1
|
C16H16N3S+ 282.392000 |
AYURKVVCUVKFLJ-UHFFFAOYSA-O | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM34791; PubChem:CID817940
|
Local ready
Direct docking supported
|
|
E3L001878
BDB001878
|
BDBM34823
CCOc1cc(CNc2ccc(N3CCCC3)cc2)cc(Cl)c1OC
|
C20H25ClN2O2 360.885000 |
QQWGJAPOKIMOPE-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM34823; PubChem:CID979664
|
Local ready
Direct docking supported
|
|
E3L001879
BDB001879
|
BDBM34825
CCOC(=O)C(C)C1=NC(C)(C)Cc2ccccc21
|
C16H21NO2 259.349000 |
XCVWSOMTPIRYPM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM34825; PubChem:CID3271012
|
Local ready
Direct docking supported
|
|
E3L001880
BDB001880
|
BDBM34843
O=[N+]([O-])c1ccc2c(c1[N-]CCc1ccccc1)NC1(CCCCC1)[N+]2=O
|
C20H22N4O3 366.421000 |
TZVGYUADSGXNJW-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM34843
|
Local ready
Direct docking supported
|