| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045281
BDB045281
|
BDBM50066271
COCCCOc1cc(C(=O)N(C[C@H]2CNC[C@@H]2NS(=O)(=O)Cc2ccccc2)C(C)C)ccc1OC
|
C27H39N3O6S 533.691000 |
WPSURGXSNWIBBJ-RPWUZVMVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066271; PubChem:CID59271988
|
Local ready
Direct docking supported
|
|
E3L045282
BDB045282
|
BDBM50066272
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NS(=O)(=O)CCc2ccccc2)C(C)C)ccc1OC
|
C28H41N3O6S 547.718000 |
JTDFVYYKULTGQG-LOSJGSFVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066272; PubChem:CID59272005
|
Local ready
Direct docking supported
|
|
E3L045283
BDB045283
|
BDBM50066273
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)ccc1OC
|
C30H39N3O6S 569.724000 |
HJUAMMPYICMYRP-AHKZPQOWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066273; PubChem:CID118728571
|
Local ready
Direct docking supported
|
|
E3L045284
BDB045284
|
2,6-Bis(3,4-dihydroxybenzylidene)cyclohexanone
O=C1/C(=C/c2ccc(O)c(O)c2)CCC/C1=C\c1ccc(O)c(O)c1
|
C20H18O5 338.359000 |
JZODVJPLOFJTJZ-VOMDNODZSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50067027; PubChem:CID5467476
|
Local ready
Direct docking supported
|
|
E3L045285
BDB045285
|
1,7-Bis(3,4-dihydroxyphenyl)-1,6-heptadiene-3,5-dione
O=C(C=Cc1ccc(O)c(O)c1)CC(=O)C=Cc1ccc(O)c(O)c1
|
C19H16O6 340.331000 |
OJFGQVZAISEIPG-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50067030; PubChem:CID390473
|
Local ready
Direct docking supported
|
|
E3L045286
BDB045286
|
Cyqualon
COc1cc(/C=C2\CCC/C(=C\c3ccc(O)c(OC)c3)C2=O)ccc1O
|
C22H22O5 366.413000 |
DHKKONBXGAAFTB-OTYYAQKOSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50067033; PubChem:CID1550234
|
Local ready
Direct docking supported
|
|
E3L045287
BDB045287
|
BDBM50067040
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
|
C21H20O6 368.385000 |
VFLDPWHFBUODDF-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50067040; PubChem:CID2889
|
Local ready
Direct docking supported
|
|
E3L045288
BDB045288
|
8-Methyl-2-(4-nitro-phenyl)-3H-quinazolin-4-one
Cc1cccc2c(=O)[nH]c(-c3ccc([N+](=O)[O-])cc3)nc12
|
C15H11N3O3 281.271000 |
NSQTWPGTGYHDIM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50068752; PubChem:CID135457978
|
Local ready
Direct docking supported
|
|
E3L045289
BDB045289
|
2-(4-Hydroxy-phenyl)-8-methyl-3H-quinazolin-4-one
Cc1cccc2c(=O)[nH]c(-c3ccc(O)cc3)nc12
|
C15H12N2O2 252.273000 |
NIPIEXNSQBQPML-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50068755; PubChem:CID135471354
|
Local ready
Direct docking supported
|
|
E3L045290
BDB045290
|
8-Methyl-2-phenylquinazolin-4(3H)-one
Cc1cccc2c(=O)[nH]c(-c3ccccc3)nc12
|
C15H12N2O 236.274000 |
WLZJEOODSSBWMB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50068758; PubChem:CID135531482
|
Local ready
Direct docking supported
|
|
E3L045291
BDB045291
|
BDBM50068759
COc1cccc2c(=O)[nH]c(-c3ccc(C(F)(F)F)cc3)nc12
|
C16H11F3N2O2 320.270000 |
PFWLEODBNCMHGH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50068759; PubChem:CID135513721
|
Local ready
Direct docking supported
|
|
E3L045292
BDB045292
|
2,8-Dimethyl-3H-quinazolin-4-one
Cc1nc2c(C)cccc2c(=O)[nH]1
|
C10H10N2O 174.203000 |
CJXMJXBJIWEHRP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50068761; PubChem:CID135463574
|
Local ready
Direct docking supported
|
|
E3L045293
BDB045293
|
2-(4-Methoxy-phenyl)-8-methyl-3H-quinazolin-4-one
COc1ccc(-c2nc3c(C)cccc3c(=O)[nH]2)cc1
|
C16H14N2O2 266.300000 |
HTLUBFSSIMOABR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50068762; PubChem:CID135407310
|
Local ready
Direct docking supported
|
|
E3L045294
BDB045294
|
BDBM50068765
Cc1cccc2c(=O)[nH]c(-c3ccc(C(F)(F)F)cc3)nc12
|
C16H11F3N2O 304.271000 |
GDPZGQDEZJRADO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50068765; PubChem:CID135456762
|
Local ready
Direct docking supported
|
|
E3L045295
BDB045295
|
2-(4-Amino-phenyl)-8-methyl-3H-quinazolin-4-one
Cc1cccc2c(=O)[nH]c(-c3ccc(N)cc3)nc12
|
C15H13N3O 251.289000 |
RFMIZKCQNUDSTO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50068766; PubChem:CID135463623
|
Local ready
Direct docking supported
|
|
E3L045296
BDB045296
|
3-Hydroxybenzamide
NC(=O)c1cccc(O)c1
|
C7H7NO2 137.138000 |
NGMMGKYJUWYIIG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50068769; PubChem:CID342403
|
Local ready
Direct docking supported
|
|
E3L045297
BDB045297
|
8-Hydroxy-2-methyl-4(3H)-quinazolinone
Cc1nc2c(O)cccc2c(=O)[nH]1
|
C9H8N2O2 176.175000 |
YJDAOHJWLUNFLX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50068774; PubChem:CID135398517
|
Local ready
Direct docking supported
|
|
E3L045298
BDB045298
|
1(2H)-Isoquinolinone
O=c1[nH]ccc2ccccc12
|
C9H7NO 145.161000 |
VDBNYAPERZTOOF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50068775; PubChem:CID10284
|
Local ready
Direct docking supported
|
|
E3L045299
BDB045299
|
BDBM50069625
CC(C)C1=C(C(=O)N2[C@H](C)CC[C@H]2C(=O)N2CCN(C)[C@H](C)C2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
|
C34H41Cl2N5O2S 654.708000 |
ZEYRMSIQYBSOGW-KBVCYFDGSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50069625
|
Local ready
Direct docking supported
|
|
E3L045300
BDB045300
|
BDBM50069626
CC(C)C1=C(C(=O)N2[C@H](C)CC[C@H]2C(=O)N2CCN(C)C3(CC3)C2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
|
C35H41Cl2N5O2S 666.719000 |
ZCAFJDRQRAWKAO-GRZVAKJNSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50069626
|
Local ready
Direct docking supported
|