| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003701
BDB003701
|
BDBM83964
NC(=O)C1CCN(C2=C(NS(=O)(=O)c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)CC1
|
C22H20BrN3O5S 518.389000 |
NCBMMENYJHPYPJ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83964; PubChem:CID3816676
|
Local ready
Direct docking supported
|
|
E3L003702
BDB003702
|
BDBM83965
CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CC1Sc2ccccc2NC1=O
|
C20H17ClF3N3O3S 471.888000 |
OXJCJYGIYPYOFK-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83965; PubChem:CID17508241
|
Local ready
Direct docking supported
|
|
E3L003703
BDB003703
|
BDBM83966
O=C(NCC(c1ccco1)N1CCCC1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1
|
C23H24BrN3O4S 518.433000 |
BDLWOGFBCAQGHD-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83966; PubChem:CID24818041
|
Local ready
Direct docking supported
|
|
E3L003704
BDB003704
|
BDBM83967
CCN1CCN(C2=C(NS(=O)(=O)c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)CC1
|
C22H22BrN3O4S 504.406000 |
AWRKOVBQJOYUJX-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83967; PubChem:CID5220114
|
Local ready
Direct docking supported
|
|
E3L003705
BDB003705
|
BDBM83968
CCOC(=O)C1CCCN(C2=C(NS(=O)(=O)c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)C1
|
C24H23BrN2O6S 547.427000 |
FORQBKKGQBHPBA-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83968; PubChem:CID3488168
|
Local ready
Direct docking supported
|
|
E3L003706
BDB003706
|
BDBM83969
CC(Oc1cccc(Cl)c1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1
|
C24H30ClN3O5S 508.040000 |
YQSHDTRQQXGNMY-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83969; PubChem:CID24978679
|
Local ready
Direct docking supported
|
|
E3L003707
BDB003707
|
BDBM83970
COc1ccc(CC(=O)N(Cc2ccccc2)c2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1
|
C27H30N2O5S 494.613000 |
ZCNSVASNHLMTMN-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83970; PubChem:CID24978706
|
Local ready
Direct docking supported
|
|
E3L003708
BDB003708
|
BDBM83971
CC1(C)Cc2cccc(OCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2O1
|
C23H25F3N2O3 434.458000 |
LCDXYCWCWANASK-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83971; PubChem:CID24979754
|
Local ready
Direct docking supported
|
|
E3L003709
BDB003709
|
BDBM83972
COCCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1
|
C27H31N3O4S 493.629000 |
BPHIQLDYQVFHPF-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83972; PubChem:CID24982083
|
Local ready
Direct docking supported
|
|
E3L003710
BDB003710
|
BDBM83973
CC1=C2N=C(C=C3NC(=C(C)C4=N[C@@](C)([C@@H]5N=C1[C@](C)(CCC(=O)NC[C@@H](C)OP(=O)(O)O[C@H]1[C@@H](O)[C@@H](n6cnc7cc(C)c(C)cc76)O[C@@H]1CO)[C@H]5CC(N)=O)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]2CCC(N)=O
|
C62H90N13O14P 1272.453000 |
NEZOEVMZBDYNHZ-RQJMMSBLSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB
BindingDB:BDBM83973
|
Local ready
Direct docking supported
|
|
E3L003711
BDB003711
|
(S)-Scoulerine
COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2
|
C19H21NO4 327.380000 |
KNWVMRVOBAFFMH-HNNXBMFYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83974; PubChem:CID439654
|
Local ready
Direct docking supported
|
|
E3L003712
BDB003712
|
BDBM83975
Cc1cccc(NC(=O)CSCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1
|
C19H20Cl2N2O2S 411.354000 |
DJEABWSBYYGEAQ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83975; PubChem:CID18168176
|
Local ready
Direct docking supported
|
|
E3L003713
BDB003713
|
BDBM83976
O=C(CCNS(=O)(=O)c1ccccc1)NCCSc1ccc(Br)cc1
|
C17H19BrN2O3S2 443.388000 |
RHKABXHVJGZYIV-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83976; PubChem:CID25161491
|
Local ready
Direct docking supported
|
|
E3L003714
BDB003714
|
BDBM83977
CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(COc3ccccc3)cc2)cc1OCC
|
C27H30N2O5 462.546000 |
BFPKIYUTYPMKDV-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83977; PubChem:CID25161676
|
Local ready
Direct docking supported
|
|
E3L003715
BDB003715
|
BDBM83978
Cc1ccc(OCC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)cc1C
|
C22H22ClN3O3 411.889000 |
IYGLHAWQHWXIBT-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83978; PubChem:CID16557646
|
Local ready
Direct docking supported
|
|
E3L003716
BDB003716
|
BDBM83979
CN(Cc1ccc(F)cc1)C(=O)CNC(=O)c1cccs1
|
C15H15FN2O2S 306.362000 |
WYEIJQAAFLHGLF-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83979; PubChem:CID7970892
|
Local ready
Direct docking supported
|
|
E3L003717
BDB003717
|
BDBM83980
CCCCOc1ccc(C(=O)NCC(=O)NCC(c2cccs2)N2CCOCC2)cc1
|
C23H31N3O4S 445.585000 |
OLBVXHKFWNUPGA-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83980; PubChem:CID25161805
|
Local ready
Direct docking supported
|
|
E3L003718
BDB003718
|
BDBM83981
CCCN(CC(=O)Nc1ccccc1OC)C(=O)CSc1ccc(Br)cc1C
|
C21H25BrN2O3S 465.413000 |
JORMMXMVZGOMCU-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83981; PubChem:CID25161957
|
Local ready
Direct docking supported
|
|
E3L003719
BDB003719
|
BDBM83982
CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccccc1Sc1ccccc1C#N
|
C25H23N3O3S 445.544000 |
WJPAYOQTIAVJJB-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83982; PubChem:CID25162161
|
Local ready
Direct docking supported
|
|
E3L003720
BDB003720
|
BDBM83983
O=C(c1ccc([N+](=O)[O-])o1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1
|
C17H13ClN4O5 388.767000 |
GMQBNYKIKWTLJQ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83983; PubChem:CID25162287
|
Local ready
Direct docking supported
|