| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L059961
BDB059961
|
BDBM50540630
CC(C)(O)C#Cc1cccc2c1CCN(C(=O)[C@@H]1CCCC[C@@H]1C(=O)O)[C@@H]2CN1C(=O)c2ccccc2C1=O
|
C31H32N2O6 528.605000 |
GAPBBTABFXSWPX-UODIDJSMSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50540630; PubChem:CID156015666
|
Local ready
Direct docking supported
|
|
E3L059962
BDB059962
|
BDBM50540631
O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCc2c(C#CCO)cccc2[C@H]1CN1C(=O)c2ccccc2C1=O
|
C29H28N2O6 500.551000 |
CHYUPAFTXJXIDA-DSNGMDLFSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50540631; PubChem:CID156014086
|
Local ready
Direct docking supported
|
|
E3L059963
BDB059963
|
BDBM50540632
COCCOc1cccc2c1CCN(C(=O)[C@@H]1CCCC[C@@H]1C(=O)O)[C@@H]2CN1C(=O)c2ccccc2C1=O
|
C29H32N2O7 520.582000 |
NEGKGYRBMPXELJ-TZRRMPRUSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50540632; PubChem:CID156014121
|
Local ready
Direct docking supported
|
|
E3L059964
BDB059964
|
BDBM50540633
O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCc2c(OCCCO)cccc2[C@H]1CN1C(=O)c2ccccc2C1=O
|
C29H32N2O7 520.582000 |
OINHUFDROTXJAP-TZRRMPRUSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50540633; PubChem:CID156019099
|
Local ready
Direct docking supported
|
|
E3L059965
BDB059965
|
BDBM50540634
O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCc2c(OCCO)cccc2[C@H]1CN1C(=O)c2ccccc2C1=O
|
C28H30N2O7 506.555000 |
OAFSXLXCZSBCHE-XPWALMASSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50540634
|
Local ready
Direct docking supported
|
|
E3L059966
BDB059966
|
BDBM50540635
O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCc2cc(OCCO)ccc2[C@H]1CN1C(=O)c2ccccc2C1=O
|
C28H30N2O7 506.555000 |
UWODZCKHZHMYSW-TZRRMPRUSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50540635; PubChem:CID156017116
|
Local ready
Direct docking supported
|
|
E3L059967
BDB059967
|
BDBM50540757
O=c1[nH]c(SCCN2CCN(c3ccccn3)CC2)nc2ccccc12
|
C19H21N5OS 367.478000 |
AFXJUCILCGBUNX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50540757; PubChem:CID136201717
|
Local ready
Direct docking supported
|
|
E3L059968
BDB059968
|
BDBM50540758
O=c1[nH]c(SCCN2CCN(CCCOc3ccc(-c4ccccc4)cc3)CC2)nc2ccccc12
|
C29H32N4O2S 500.668000 |
CXPJWDXJJXREGA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50540758; PubChem:CID156016646
|
Local ready
Direct docking supported
|
|
E3L059969
BDB059969
|
BDBM50540759
O=c1[nH]c(SCCN2CCN(CCCc3nc(-c4ccccc4)no3)CC2)nc2ccccc12
|
C25H28N6O2S 476.606000 |
KBFBQODMTQIXEB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50540759; PubChem:CID156021401
|
Local ready
Direct docking supported
|
|
E3L059970
BDB059970
|
BDBM50540760
O=C1CC2(CCN(C(=O)CN3CCN(CCSc4nc5ccccc5c(=O)[nH]4)CC3)CC2)Oc2ccccc21
|
C29H33N5O4S 547.681000 |
HKKWGEHTJZYRCM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50540760; PubChem:CID156009939
|
Local ready
Direct docking supported
|
|
E3L059971
BDB059971
|
BDBM50540761
O=C(OCc1ccccc1)N1CCN(CCSc2nc3ccccc3c(=O)[nH]2)CC1
|
C22H24N4O3S 424.526000 |
XMNISQQDQQVTBJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50540761; PubChem:CID156016560
|
Local ready
Direct docking supported
|
|
E3L059972
BDB059972
|
Bis-quinazolinone 5
O=c1[nH]c(SCCN2CCN(CCSc3nc4ccccc4c(=O)[nH]3)CC2)nc2ccccc12
|
C24H26N6O2S2 494.646000 |
RHCZTJJJLXGIDT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50540762; PubChem:CID145996538
|
Local ready
Direct docking supported
|
|
E3L059973
BDB059973
|
BDBM50540840
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C
|
C106H162N28O32S 2372.693000 |
RKFQFGYKSOXKQZ-ZAJMFMCVSA-N | Q693B1 | BTB/POZ domain-containing protein KCTD11 |
BindingDB, PubChem
BindingDB:BDBM50540840; PubChem:CID156014039
|
Local ready
Direct docking supported
|
|
E3L059974
BDB059974
|
H-Gln-Glu-Thr-Phe-Ser-Asp-Leu-Trp-Lys-Leu-Leu-Pro-OH
CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O
|
C70H105N15O20 1476.695000 |
RONKRRXMFUNAJI-CCIJQOLZSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50540842; PubChem:CID73347121
|
Local ready
Direct docking supported
|
|
E3L059975
BDB059975
|
H-Phe-Ser-Asp-Leu-Trp-Lys-Leu-Leu-OH
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O
|
C51H76N10O12 1021.227000 |
WDVKXCISQWPUKB-IGHJTHJISA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50540843; PubChem:CID156010582
|
Local ready
Direct docking supported
|
|
E3L059976
BDB059976
|
H-Phe-Ser-Asp-Leu-Trp-Lys-Leu-OH
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O
|
C45H65N9O11 908.067000 |
DJZLSIQJKDICEC-YZZAGUQTSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50540844; PubChem:CID156021958
|
Local ready
Direct docking supported
|
|
E3L059977
BDB059977
|
5-methyl-11H-indolo[3,2-b]carbazole-6-carbaldehyde
Cn1c2ccccc2c2cc3[nH]c4ccccc4c3c(C=O)c21
|
C20H14N2O 298.345000 |
XGYBLMVBSSQZRI-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50541261; PubChem:CID156019160
|
Local ready
Direct docking supported
|
|
E3L059978
BDB059978
|
6-Formylindolo(3,2-b)carbazole
O=Cc1c2[nH]c3ccccc3c2cc2[nH]c3ccccc3c12
|
C19H12N2O 284.318000 |
ZUDXFBWDXVNRKF-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50541262; PubChem:CID1863
|
Local ready
Direct docking supported
|
|
E3L059979
BDB059979
|
BDBM50541571
CCCCCC1=CC(=O)C2=C(OC(C)(C)c3ccc(C)cc32)C1=O
|
C21H24O3 324.420000 |
UFDYTRQMIXJHTH-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50541571; PubChem:CID11198119
|
Local ready
Direct docking supported
|
|
E3L059980
BDB059980
|
BDBM50541572
C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C(=O)C(CCCCC)=CC1=O
|
C21H28O3 328.452000 |
WDXXEUARVHTWQF-DLBZAZTESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50541572; PubChem:CID11393311
|
Local ready
Direct docking supported
|