| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003621
BDB003621
|
N-(6-Methoxy-8H-indeno[1,2-d]thiazol-2-yl)-benzamide
COc1ccc2c(c1)Cc1sc(NC(=O)c3ccccc3)nc1-2
|
C18H14N2O2S 322.389000 |
ZBBQJWOAWRRPPL-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83883; PubChem:CID1078736
|
Local ready
Direct docking supported
|
|
E3L003622
BDB003622
|
BDBM83884
CCCCCn1c(=O)c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(O)c2ccccc21
|
C26H28N4O4 460.534000 |
HWUIPHCBRQKSOT-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83884; PubChem:CID54697694
|
Local ready
Direct docking supported
|
|
E3L003623
BDB003623
|
BDBM83885
CCCC[n+]1ccn(C2=C([N-]S(=O)(=O)c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)c1
|
C23H20BrN3O4S 514.401000 |
MVUSQLSVOSMZFA-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83885; PubChem:CID1922832
|
Local ready
Direct docking supported
|
|
E3L003624
BDB003624
|
BDBM83886
Cc1ccc(-c2nn3c(C)nnc3c3ccccc23)cc1S(=O)(=O)NCc1ccccc1
|
C24H21N5O2S 443.532000 |
PNDBNEFDDWKYDD-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83886; PubChem:CID1251632
|
Local ready
Direct docking supported
|
|
E3L003625
BDB003625
|
BDBM83887
Clc1ccc(-c2cn3nc4c(nc3n2)CCCC4)cc1
|
C15H13ClN4 284.750000 |
KCJMHBCZSPFWRU-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83887; PubChem:CID625142
|
Local ready
Direct docking supported
|
|
E3L003626
BDB003626
|
BDBM83888
COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)o1
|
C28H20N2O4 448.478000 |
LLJPZJHEYLELEQ-MOHJPFBDSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83888; PubChem:CID5736973
|
Local ready
Direct docking supported
|
|
E3L003627
BDB003627
|
BDBM83889
Cc1ccc(S(=O)(=O)N2CCN(c3ccc4nnc(-c5ccc(F)cc5)n4n3)CC2)cc1
|
C22H21FN6O2S 452.515000 |
IZVQVRAXNFSMLH-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83889; PubChem:CID9550524
|
Local ready
Direct docking supported
|
|
E3L003628
BDB003628
|
BDBM83890
COc1ccc2c(c1)Cc1sc(NC(=O)c3ccco3)nc1-2
|
C16H12N2O3S 312.350000 |
MRJLDXWMJDYSLA-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83890; PubChem:CID2938921
|
Local ready
Direct docking supported
|
|
E3L003629
BDB003629
|
BDBM83891
CCOc1ccccc1N1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1
|
C26H26N2O3 414.505000 |
QQGMIWQZPMKFNW-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83891; PubChem:CID4350979
|
Local ready
Direct docking supported
|
|
E3L003630
BDB003630
|
BDBM83892
O=S(=O)(c1ccc(Br)cc1)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1
|
C21H19BrN6O2S 499.394000 |
XPLMUILWMKXENK-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83892; PubChem:CID9551555
|
Local ready
Direct docking supported
|
|
E3L003631
BDB003631
|
BDBM83893
COn1c2c(c3c4nonc4ccc31)CCCC2
|
C13H13N3O2 243.266000 |
XUEPYELDAHBGCR-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83893; PubChem:CID726977
|
Local ready
Direct docking supported
|
|
E3L003632
BDB003632
|
BDBM83894
CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12
|
C25H30N2O3 406.526000 |
ULNZVSBWMWLJBK-BQJUDKOJSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83894; PubChem:CID7472344
|
Local ready
Direct docking supported
|
|
E3L003633
BDB003633
|
BDBM83895
CCOC(=O)c1cnn(-c2c(Cc3ccccc3)c(C)nc3c(-c4ccccc4)c(C)nn23)c1N
|
C27H26N6O2 466.545000 |
IBZUZSMVGJBYIC-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83895; PubChem:CID1988334
|
Local ready
Direct docking supported
|
|
E3L003634
BDB003634
|
BDBM83896
O=C1/C(=N\c2cccc(OC(=O)c3ccccc3[N+](=O)[O-])c2)[C-]([n+]2n[nH]c3ccccc32)C(=O)c2ccccc21
|
C29H17N5O6 531.484000 |
ISNMDCPNWHNDTG-BAZVLYARSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB
BindingDB:BDBM83896
|
Local ready
Direct docking supported
|
|
E3L003635
BDB003635
|
BDBM83897
O=C1/C(=N\c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)[C-]([n+]2n[nH]c3ccccc32)C(=O)c2ccccc21
|
C29H17N5O6 531.484000 |
ITCXRLOHGJILDC-BAZVLYARSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB
BindingDB:BDBM83897
|
Local ready
Direct docking supported
|
|
E3L003636
BDB003636
|
BDBM83898
Cc1ccc(S(=O)(=O)[N-]C2=C(n3cc[n+](CCC(C)C)c3)C(=O)c3ccccc3C2=O)cc1
|
C25H25N3O4S 463.559000 |
YCGPEXYEZIEOKG-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83898; PubChem:CID1899394
|
Local ready
Direct docking supported
|
|
E3L003637
BDB003637
|
BDBM83899
Cc1c(CCC(C)C)c(=O)n2c([nH]c3ccccc32)c1C#N
|
C18H19N3O 293.370000 |
AVGTWRLHTJIKNU-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83899; PubChem:CID703093
|
Local ready
Direct docking supported
|
|
E3L003638
BDB003638
|
BDBM83900
CC(C)CC[n+]1ccn(C2=C([N-]S(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)c1
|
C24H23N3O4S 449.532000 |
OYDCHMZVJGLEJZ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83900; PubChem:CID1389436
|
Local ready
Direct docking supported
|
|
E3L003639
BDB003639
|
BDBM83901
CC(C)CCC(C)NC=C1C(=O)N(Cc2ccccc2)C(=O)c2ccccc21
|
C24H28N2O2 376.500000 |
GTJRZYCHIYIBQH-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB
BindingDB:BDBM83901
|
Local ready
Direct docking supported
|
|
E3L003640
BDB003640
|
BDBM83902
Cc1ccc(-c2nnc(CSc3nnc(COc4cccc5ccccc45)n3-c3ccccc3)o2)cc1
|
C29H23N5O2S 505.603000 |
WCVSEYBAUIPDKB-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83902; PubChem:CID3137159
|
Local ready
Direct docking supported
|