| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001881
BDB001881
|
BDBM34878
CCOc1c(O)ccc(C=C2SC(S)=NC2=O)c1[N+](=O)[O-]
|
C12H10N2O5S2 326.355000 |
JHIXMNZIIKALPE-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM34878; PubChem:CID2895081
|
Local ready
Direct docking supported
|
|
E3L001882
BDB001882
|
Ethyl 2-amino-4-(thiophen-2-yl)thiophene-3-carboxylate
CCOC(=O)c1c(-c2cccs2)csc1N
|
C11H11NO2S2 253.348000 |
AKFDBWIUWIWHRK-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM34891; PubChem:CID718227
|
Local ready
Direct docking supported
|
|
E3L001883
BDB001883
|
BDBM34893
CN(C)c1cc(N=NCc2ccccc2)nc(N(C)C)n1
|
C15H20N6 284.367000 |
AAUUMJRQTYQEHL-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM34893; PubChem:CID91896227
|
Local ready
Direct docking supported
|
|
E3L001884
BDB001884
|
3-(2,1,3-Benzothiadiazol-5-yl)-1,1-di(propan-2-yl)urea
CC(C)N(C(=O)Nc1ccc2nsnc2c1)C(C)C
|
C13H18N4OS 278.381000 |
KGGMLLZHZZVHJN-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM34901; PubChem:CID1072934
|
Local ready
Direct docking supported
|
|
E3L001885
BDB001885
|
BDBM34902
CC1(C)Cc2ccccc2C2=NNC(=O)C2=N1
|
C13H13N3O 227.267000 |
WCONCJOQCAAEKO-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM34902; PubChem:CID614841
|
Local ready
Direct docking supported
|
|
E3L001886
BDB001886
|
2,2-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-6-amine
CC1(C)CNc2cc(N)ccc2S1
|
C10H14N2S 194.303000 |
VAEKSNCACFJICM-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM34933; PubChem:CID7084759
|
Local ready
Direct docking supported
|
|
E3L001887
BDB001887
|
BDBM34943
CCOC(=O)c1c2ccc(OCC(=O)NN)cc2n2ccccc12
|
C17H17N3O4 327.340000 |
ONNYYHCXUXPIRO-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM34943; PubChem:CID1484849
|
Local ready
Direct docking supported
|
|
E3L001888
BDB001888
|
BDBM34964
CCOC(=O)c1c(C)oc2c1c(C=NCCC(=O)O)c(O)c1ccccc12
|
C20H19NO6 369.373000 |
RUZRZEJIFSSCIA-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM34964; PubChem:CID1581987
|
Local ready
Direct docking supported
|
|
E3L001889
BDB001889
|
BDBM35054
CC(C)CCNC(=O)N(CC(CCC(=O)O)NC(N)=O)C(CCCCN)CN(C(=O)NCCc1ccc(Cl)cc1)C(CCC(=O)O)CN(CCC(N)=O)C(=O)NCCc1ccccc1
|
C44H69ClN10O9 917.550000 |
RYHQCAGRJNFQLL-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM35054
|
Local ready
Direct docking supported
|
|
E3L001890
BDB001890
|
BDBM35055
CC(C)CCCNC(=O)N(CC(CCC(=O)O)NC(N)=O)C(CCCCN)CN(C(=O)NCCc1ccc(Cl)cc1)C(CCC(=O)O)CN(CCC(N)=O)C(=O)NCCc1ccccc1
|
C45H71ClN10O9 931.577000 |
DJPWZVMYMCRHRR-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM35055
|
Local ready
Direct docking supported
|
|
E3L001891
BDB001891
|
BDBM35056
CC(C)CCCNC(=O)N(CC(CCC(=O)O)NC(N)=O)C(CCCCN)CN(C(=O)NCCc1ccc(Cl)cc1)C(CCC(=O)O)CN(CCC(N)=O)C(=O)NCCc1ccc(Cl)cc1
|
C45H70Cl2N10O9 966.022000 |
GZADCMIYGIATRC-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM35056
|
Local ready
Direct docking supported
|
|
E3L001892
BDB001892
|
BDBM35057
CC(C)CCCNC(=O)N(CC(CCC(=O)O)NC(N)=O)C(CCCCN)CN(C(=O)NCCc1ccc(Cl)cc1)C(CCC(=O)O)CN(CCC(N)=O)C(=O)NCCCc1ccccc1
|
C46H73ClN10O9 945.604000 |
XHFWGOPKVVVFRB-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM35057
|
Local ready
Direct docking supported
|
|
E3L001893
BDB001893
|
BDBM35058
CC(C)CCCNC(=O)N(CC(CCC(=O)O)NC(N)=O)C(CCCCN)CN(C(=O)NCCc1ccc(Br)cc1)C(CCC(=O)O)CN(CCC(N)=O)C(=O)NCCCc1ccccc1
|
C46H73BrN10O9 990.055000 |
CAZKNLQOWMIASN-UHFFFAOYSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM35058
|
Local ready
Direct docking supported
|
|
E3L001894
BDB001894
|
BDBM35059
CC(C)CCCNC(=O)N(CC(CCC(=O)O)NC(N)=O)C(CCCCN)CN(C(=O)NCCCc1ccc(Br)cc1)C(CCC(=O)O)CN(CCC(N)=O)C(=O)NCCCc1ccccc1
|
C47H75BrN10O9 1004.082000 |
GBDCVNXQCCJMDD-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM35059
|
Local ready
Direct docking supported
|
|
E3L001895
BDB001895
|
BDBM35060
CC(C)CCCNC(=O)N(CC(CCC(=O)O)NC(N)=O)C(CCCCN)CN(C(=O)NCCCc1ccccc1)C(CCC(=O)O)CN(CCC(N)=O)C(=O)NCCc1ccc(Br)cc1
|
C46H73BrN10O9 990.055000 |
OVZRBJZXBJDWDP-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM35060
|
Local ready
Direct docking supported
|
|
E3L001896
BDB001896
|
BDBM35061
CC(C)CCCNC(=O)N(CC(CCC(=O)O)NC(N)=O)C(CCCCN)CN(C(=O)NCCc1ccc(Br)cc1)C(CCC(=O)O)CN(CCC(N)=O)C(=O)NCCc1ccc(Br)cc1
|
C45H70Br2N10O9 1054.924000 |
SFAIECQCMUVTAH-UHFFFAOYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB
BindingDB:BDBM35061
|
Local ready
Direct docking supported
|
|
E3L001897
BDB001897
|
BDBM35062
CC(C)CCCNC(=O)N(CC(CCC(=O)O)NC(N)=O)C(CCCCN)CN(C(=O)NCCc1ccc(Br)cc1)C(CCC(=O)O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1
|
C46H72Br2N10O9 1068.951000 |
GXZBAAWCBBTCLR-UHFFFAOYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB
BindingDB:BDBM35062
|
Local ready
Direct docking supported
|
|
E3L001898
BDB001898
|
BDBM35063
Cc1ccc(CCCNC(=O)N(CCC(N)=O)CC(CCC(=O)O)N(CC(CCCCN)N(CC(CCC(=O)O)NC(N)=O)C(=O)NCCCC(C)C)C(=O)NCCc2ccc(Br)cc2)cc1
|
C47H75BrN10O9 1004.082000 |
KBUIXYTWLKLJPL-UHFFFAOYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB
BindingDB:BDBM35063
|
Local ready
Direct docking supported
|
|
E3L001899
BDB001899
|
BDBM35064
CC(C)CCCNC(=O)N(CC(CCC(=O)O)NC(N)=O)C(CCCCN)CN(C(=O)NCCc1ccc(Br)cc1)C(CCC(=O)O)CN(CCC(N)=O)C(=O)NCCCc1ccc([N+](=O)[O-])cc1
|
C46H72BrN11O11 1035.052000 |
ANJPZYZEKQZMGS-UHFFFAOYSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM35064
|
Local ready
Direct docking supported
|
|
E3L001900
BDB001900
|
BDBM35065
COc1ccc(CCCNC(=O)N(CCC(N)=O)CC(CCC(=O)O)N(CC(CCCCN)N(CC(CCC(=O)O)NC(N)=O)C(=O)NCCCC(C)C)C(=O)NCCc2ccc(Br)cc2)cc1
|
C47H75BrN10O10 1020.081000 |
QKDNAMJGIDZDMM-UHFFFAOYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB
BindingDB:BDBM35065
|
Local ready
Direct docking supported
|