| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003641
BDB003641
|
BDBM83903
COc1ccc(CN=Cc2[nH]c3ccc(Br)c(Cl)c3c2O)cc1
|
C17H14BrClN2O2 393.668000 |
DVZRIYIFNNSTDL-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83903; PubChem:CID135510955
|
Local ready
Direct docking supported
|
|
E3L003642
BDB003642
|
BDBM83904
CC(C)(C)c1ccc(C(=O)NNc2cc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
|
C25H36N6O 436.604000 |
ZYJGLONBENFYDK-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83904; PubChem:CID3121367
|
Local ready
Direct docking supported
|
|
E3L003643
BDB003643
|
BDBM83905
Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1cn(Cc2cccc3ccccc23)c2ccccc12
|
C28H25N5O2 463.541000 |
IEDDUUCBRAGPHC-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83905; PubChem:CID4240836
|
Local ready
Direct docking supported
|
|
E3L003644
BDB003644
|
BDBM83906
Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1
|
C18H15N5O4 365.349000 |
GHVBZZXMQQHRSV-YBFXNURJSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83906; PubChem:CID135442914
|
Local ready
Direct docking supported
|
|
E3L003645
BDB003645
|
BDBM83907
CC1CC2(CCCCC2)N2C(=O)C(=O)c3cccc1c32
|
C17H19NO2 269.344000 |
MFSLIBUEKHTVDK-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83907; PubChem:CID2968636
|
Local ready
Direct docking supported
|
|
E3L003646
BDB003646
|
BDBM83908
O=C1N/C(=C\c2ccc(O)cc2)C(=O)c2ccccc21
|
C16H11NO3 265.268000 |
GPGPMTJDJOJCNO-ZROIWOOFSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83908; PubChem:CID5403890
|
Local ready
Direct docking supported
|
|
E3L003647
BDB003647
|
BDBM83909
O=C1C(NS(=O)(=O)c2ccc(Cl)cc2)=C(N2CCCCC2)C(=O)c2ccccc21
|
C21H19ClN2O4S 430.913000 |
FAMXMLGWWRDVLL-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83909; PubChem:CID3422200
|
Local ready
Direct docking supported
|
|
E3L003648
BDB003648
|
BDBM83910
Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C(c1ccccc1O)c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O
|
C27H22Cl2N4O3 521.404000 |
AWWHQHAMRCRVST-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83910; PubChem:CID19580185
|
Local ready
Direct docking supported
|
|
E3L003649
BDB003649
|
BDBM83911
COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1OC
|
C23H17NO5 387.391000 |
AQPGTJYEZZHVFC-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83911; PubChem:CID5185720
|
Local ready
Direct docking supported
|
|
E3L003650
BDB003650
|
BDBM83912
O=C(CCn1c2c(c3ccccc31)CCCC2)NNC(=O)c1ccc([N+](=O)[O-])cc1
|
C22H22N4O4 406.442000 |
CCSNJERMAQFWPG-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83912; PubChem:CID3424737
|
Local ready
Direct docking supported
|
|
E3L003651
BDB003651
|
BDBM83913
O=C(CCn1c2c(c3ccccc31)CCCC2)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
|
C22H21ClN4O4 440.887000 |
DNQFKJQJWLOPJZ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83913; PubChem:CID4422714
|
Local ready
Direct docking supported
|
|
E3L003652
BDB003652
|
BDBM83914
COc1ccc(C=NNC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)cc1
|
C26H24N4O2 424.504000 |
QBEWYPHZLGJTHZ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83914; PubChem:CID1539485
|
Local ready
Direct docking supported
|
|
E3L003653
BDB003653
|
BDBM83915
Cc1cc(=O)n(-c2ccc(C(F)(F)F)cn2)[nH]1
|
C10H8F3N3O 243.188000 |
IRBHKWSMJIQTEK-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83915; PubChem:CID66020846
|
Local ready
Direct docking supported
|
|
E3L003654
BDB003654
|
BDBM83916
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)Nc2ccc(Cl)cc2C#N)c1
|
C22H18Cl2N4O3S 489.384000 |
SFJQHCIGMFBGNQ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83916; PubChem:CID3878753
|
Local ready
Direct docking supported
|
|
E3L003655
BDB003655
|
BDBM83917
Cc1[nH]n(-c2ccccc2)c(=O)c1C=NNC(=O)c1ccoc1C
|
C17H16N4O3 324.340000 |
KECHVPLGJKSTDK-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83917; PubChem:CID3376788
|
Local ready
Direct docking supported
|
|
E3L003656
BDB003656
|
BDBM83918
CC(C)c1ccc(CN=Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
|
C22H30N6O2 410.522000 |
IBGSISOOCZHDOO-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83918; PubChem:CID91898865
|
Local ready
Direct docking supported
|
|
E3L003657
BDB003657
|
4-[2-(4-Methoxyphenoxy)ethylamino]-3-nitrochromen-2-one
COc1ccc(OCCNc2c([N+](=O)[O-])c(=O)oc3ccccc23)cc1
|
C18H16N2O6 356.334000 |
YXAWWCFMHKYPLL-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83919; PubChem:CID2832347
|
Local ready
Direct docking supported
|
|
E3L003658
BDB003658
|
BDBM83920
O=C(CCc1ccccc1)NNc1cc(N2CCCCC2)nc(N2CCCCC2)n1
|
C23H32N6O 408.550000 |
JZRIETCEGKDUCH-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83920; PubChem:CID1109397
|
Local ready
Direct docking supported
|
|
E3L003659
BDB003659
|
BDBM83921
CCN(CC)CCC=Nc1c(Cl)c(O)c2ccccc2c1O
|
C17H21ClN2O2 320.820000 |
OKMOEYWHXMQBFO-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83921; PubChem:CID91898866
|
Local ready
Direct docking supported
|
|
E3L003660
BDB003660
|
Tanshinone Iia
Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C
|
C19H18O3 294.350000 |
HYXITZLLTYIPOF-UHFFFAOYSA-N | O14727, O75530, P37231 | Histone-lysine N-methyltransferase EZH2, Apoptotic protease-activating factor 1, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM83922; PubChem:CID164676
|
Local ready
Direct docking supported
|