| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L058921
BDB058921
|
4-hydroxy-N'-(naphthalene-2-sulfonyl)benzohydrazide
O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccc(O)cc1
|
C17H14N2O4S 342.376000 |
LVIKGYITZHSWSM-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM50518874; PubChem:CID2367622
|
Local ready
Direct docking supported
|
|
E3L058922
BDB058922
|
4-cyano-N'-naphthalen-2-ylsulfonylbenzohydrazide
N#Cc1ccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)cc1
|
C18H13N3O3S 351.387000 |
PTXGBXAHGIFPRD-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM50518875; PubChem:CID48927665
|
Local ready
Direct docking supported
|
|
E3L058923
BDB058923
|
N'-(benzenesulfonyl)-2-phenylpyridine-4-carbohydrazide
O=C(NNS(=O)(=O)c1ccccc1)c1ccnc(-c2ccccc2)c1
|
C18H15N3O3S 353.403000 |
VYXRRWHTTNKTPJ-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM50518876; PubChem:CID135298661
|
Local ready
Direct docking supported
|
|
E3L058924
BDB058924
|
BDBM50519158
O=C(Nc1ccc2cc(C(=O)Nc3nccs3)ccc2c1)c1ccc(Cl)c(Cl)c1
|
C21H13Cl2N3O2S 442.327000 |
MRITYVDXXFOOAU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50519158; PubChem:CID138911334
|
Local ready
Direct docking supported
|
|
E3L058925
BDB058925
|
example 8 (cis racemate) [WO2017060855A1]
CCCCC1CCCN1C(=O)[C@@H]1CCC[C@H](c2cccc(-n3ncc(C(=O)O)c3C3CC3)c2)C1
|
C28H37N3O3 463.622000 |
UHBPMQISVQNVGD-PDOMDSBESA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50519234; PubChem:CID139030534
|
Local ready
Direct docking supported
|
|
E3L058926
BDB058926
|
BDBM50519235
O=C(O)COc1cccc(CNC(=O)Nc2nnc(-c3ccco3)o2)c1
|
C16H14N4O6 358.310000 |
COAUEHYQQBGZLC-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50519235; PubChem:CID70680427
|
Local ready
Direct docking supported
|
|
E3L058927
BDB058927
|
BDBM50519236
Fc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1
|
C15H9FN4O 280.262000 |
LBOBFSYTLJJUGA-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50519236; PubChem:CID122180503
|
Local ready
Direct docking supported
|
|
E3L058928
BDB058928
|
BDBM50519386
CCCc1nc2c(C)cccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C25H24N2O2 384.479000 |
CUJWNLOIOITPFI-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50519386; PubChem:CID130417522
|
Local ready
Direct docking supported
|
|
E3L058929
BDB058929
|
BDBM50519387
CCCc1nc2c(F)cccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C24H21FN2O2 388.442000 |
SQDPYYHUIAEALK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50519387; PubChem:CID155510942
|
Local ready
Direct docking supported
|
|
E3L058930
BDB058930
|
BDBM50519388
CCCc1nc2c(C(F)(F)F)cccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C25H21F3N2O2 438.449000 |
KUKNBTKHEMOFIQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50519388; PubChem:CID155549183
|
Local ready
Direct docking supported
|
|
E3L058931
BDB058931
|
BDBM50519389
CCCc1nc2c(Br)cccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C24H21BrN2O2 449.348000 |
GPNRXOVUEHGBHT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50519389; PubChem:CID9933395
|
Local ready
Direct docking supported
|
|
E3L058932
BDB058932
|
BDBM50519390
CCCc1nc2c(Cl)cccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C24H21ClN2O2 404.897000 |
ZYPNFUWYPHOJIU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50519390; PubChem:CID155554530
|
Local ready
Direct docking supported
|
|
E3L058933
BDB058933
|
Bz(4-tBu)-Ala-Ala-Leu-Lys(Et2)-Ser-OMe
CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CO)C(=O)OC
|
C37H62N6O8 718.937000 |
SQWGTAUPVFPVAQ-NDOOMZCZSA-N | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB, PubChem
BindingDB:BDBM50519512; PubChem:CID155520561
|
Local ready
Direct docking supported
|
|
E3L058934
BDB058934
|
5-(Ethylsulfonyl)-2-(2-naphthalenyl)benzoxazole
CCS(=O)(=O)c1ccc2oc(-c3ccc4ccccc4c3)nc2c1
|
C19H15NO3S 337.400000 |
KSGCNXAZROJSNW-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50519636; PubChem:CID25109292
|
Local ready
Direct docking supported
|
|
E3L058935
BDB058935
|
BDBM50519653
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCC[C@H](NC(=O)COCCOCCNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)[C@@H](C)O)C(N)=O
|
C153H245N53O37 3418.977000 |
TWCBWIUERVNFCJ-RXKYBBEDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50519653
|
Local ready
Direct docking supported
|
|
E3L058936
BDB058936
|
BDBM50519654
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=O)CC[C@@H]2NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)[C@@H](C)O
|
C132H196N40O31 2839.269000 |
NGDZEKYWNIWXCO-KOQUPJNSSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50519654
|
Local ready
Direct docking supported
|
|
E3L058937
BDB058937
|
BDBM50519655
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c(C(=O)[O-])c1)C(N)=O)[C@@H](C)O)[C@@H](C)O
|
C110H144N22O28 2222.488000 |
VHDZAGRGAFLYHR-JNHXEXSRSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50519655
|
Local ready
Direct docking supported
|
|
E3L058938
BDB058938
|
BDBM50519656
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)[C@@H](C)O
|
C87H127N21O23 1835.097000 |
QRXDAXBOTYUFEL-ZPJGIRPASA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50519656
|
Local ready
Direct docking supported
|
|
E3L058939
BDB058939
|
BDBM50519657
CC(C)C[C@H](NC(=O)COCCOCCNC(=O)CC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)[C@@H](C)O
|
C130H186N38O29 2745.155000 |
VRCXMVQRLOUJDF-UAFORRMMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50519657
|
Local ready
Direct docking supported
|
|
E3L058940
BDB058940
|
BDBM50519658
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=O)CC[C@@H]2NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)[C@@H](C)O
|
C138H200N40O31 2915.367000 |
CRDSBQPFJTXDPB-KSSJIFADSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50519658
|
Local ready
Direct docking supported
|