| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054141
BDB054141
|
8-Chloroquinazolin-4-OL
O=c1[nH]cnc2c(Cl)cccc12
|
C8H5ClN2O 180.594000 |
JWLJDRWZFALRKE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50365147; PubChem:CID135412869
|
Local ready
Direct docking supported
|
|
E3L054142
BDB054142
|
8-(Trifluoromethyl)quinazolin-4(3h)-one
O=c1[nH]cnc2c(C(F)(F)F)cccc12
|
C9H5F3N2O 214.146000 |
YVUGNQDFJMZZGV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50365148; PubChem:CID135742319
|
Local ready
Direct docking supported
|
|
E3L054143
BDB054143
|
8-Methyl-4(3H)-quinazolinone
Cc1cccc2c(=O)[nH]cnc12
|
C9H8N2O 160.176000 |
GZRXSFZDLGKFLN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50365149; PubChem:CID135471300
|
Local ready
Direct docking supported
|
|
E3L054144
BDB054144
|
8-Amino-1,4-dihydroquinazolin-4-one
Nc1cccc2c(=O)[nH]cnc12
|
C8H7N3O 161.164000 |
PYVNSJBGHICCFN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50365150; PubChem:CID135623998
|
Local ready
Direct docking supported
|
|
E3L054145
BDB054145
|
6,8-Dimethylquinazolin-4(3H)-one
Cc1cc(C)c2nc[nH]c(=O)c2c1
|
C10H10N2O 174.203000 |
HZRITHNUYUGNFH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50365151; PubChem:CID135580999
|
Local ready
Direct docking supported
|
|
E3L054146
BDB054146
|
5-Fluoro-2-methylquinazolin-4-ol
Cc1nc2cccc(F)c2c(=O)[nH]1
|
C9H7FN2O 178.166000 |
FPZUXPTZQQJFTO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50365152; PubChem:CID135438096
|
Local ready
Direct docking supported
|
|
E3L054147
BDB054147
|
2,5-Dimethylquinazolin-4(1H)-one
Cc1nc2cccc(C)c2c(=O)[nH]1
|
C10H10N2O 174.203000 |
ROBRIOBWJIBWRF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50365153; PubChem:CID135742274
|
Local ready
Direct docking supported
|
|
E3L054148
BDB054148
|
3,4-Dihydro-2,6,8-trimethylquinazolin-4-one
Cc1cc(C)c2nc(C)[nH]c(=O)c2c1
|
C11H12N2O 188.230000 |
OWDDZTAFUFXSFM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50365154; PubChem:CID136042326
|
Local ready
Direct docking supported
|
|
E3L054149
BDB054149
|
8-Chloro-2-methylquinazolin-4(1H)-one
Cc1nc2c(Cl)cccc2c(=O)[nH]1
|
C9H7ClN2O 194.621000 |
KEGYAYOQTQMORC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50365155; PubChem:CID135742247
|
Local ready
Direct docking supported
|
|
E3L054150
BDB054150
|
8-amino-2-methylquinazolin-4(3H)-one
Cc1nc2c(N)cccc2c(=O)[nH]1
|
C9H9N3O 175.191000 |
XBMZQMYLSDNXHE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50365156; PubChem:CID135981165
|
Local ready
Direct docking supported
|
|
E3L054151
BDB054151
|
JQ1 compound
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2
|
C23H25ClN4O2S 456.999000 |
DNVXATUJJDPFDM-KRWDZBQOSA-N | Q09472, Q92793 | CREB-binding protein, Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50365262; PubChem:CID46907787
|
Local ready
Direct docking supported
|
|
E3L054152
BDB054152
|
BDBM50365264
Cc1nnc2n1-c1ccccc1C(c1ccccc1)=N[C@H]2NC(=O)OCc1ccccc1
|
C25H21N5O2 423.476000 |
TUWDLUFFAHHNEF-QHCPKHFHSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50365264; PubChem:CID53318989
|
Local ready
Direct docking supported
|
|
E3L054153
BDB054153
|
BDBM50365345
CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc3ccc4cccc5ccc2c3c45)c1)C(=O)O
|
C30H27NO4 465.549000 |
WXYOTFKPGLXJBW-IBGZPJMESA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50365345; PubChem:CID25112371
|
Local ready
Direct docking supported
|
|
E3L054154
BDB054154
|
BDBM50365426
COc1ccc(-c2ocnc2C(=O)NCc2ccncc2)cc1
|
C17H15N3O3 309.325000 |
NDXJIXWTFPGHAI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50365426; PubChem:CID56643097
|
Local ready
Direct docking supported
|
|
E3L054155
BDB054155
|
BDBM50365463
CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21
|
C22H22ClN5O2 423.904000 |
AAAQFGUYHFJNHI-SFHVURJKSA-N | O14497, O14965, O15143, O43172, O96028, P09874, P14373, P29590, P31146, P54198, P61964, Q09472, Q12789, Q13112, Q14145, Q14258, Q14839, Q149N8, Q15291, Q15542, Q16576, Q6UXN9, Q86WB0, Q8N2W9, Q8N7H5, Q8N806, Q8TAF3, Q8TEQ6, Q92793, Q96RE7, Q96T88, Q9BQ67, Q9BYB4, Q9BZ95, Q9C0J8, Q9GZS3, Q9H7D7, Q9NNW5 | RNA polymerase II-associated factor 1 homolog, Histone-lysine N-methyltransferase NSD3, WD repeat-containing protein 26, pre-mRNA 3' end processing protein WDR33, Guanine nucleotide-binding protein subunit beta-like protein 1, E3 ubiquitin/ISG15 ligase TRIM25, E3 ubiquitin-protein ligase SHPRH, Histone-lysine N-methyltransferase NSD2, E3 SUMO-protein ligase PIAS4, WD repeat-containing protein 5, Superkiller complex protein 8, Retinoblastoma-binding protein 5, Histone acetyltransferase p300, Glutamate-rich WD repeat-containing protein 1, WD repeat-containing protein 48, Kelch-like ECH-associated protein 1, Coronin-1A, E3 ubiquitin-protein ligase UHRF1, Histone-binding protein RBBP7, AT-rich interactive domain-containing protein 1A, Chromatin assembly factor 1 subunit B, ATP-dependent chromatin remodeler CHD4, Aurora kinase A, Nucleus accumbens-associated protein 1, Zinc finger C3HC-type protein 1, Protein HIRA, General transcription factor 3C polypeptide 1, WD repeat-containing protein 82, tRNA (34-2'-O)-methy |
BindingDB, PubChem
BindingDB:BDBM50365463; PubChem:CID46943432
|
Local ready
Direct docking supported
|
|
E3L054156
BDB054156
|
BDBM50365561
CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)c(Cl)c1
|
C27H27ClF2N2O 468.975000 |
VIEBGHIBCUYPNE-VWNXMTODSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50365561; PubChem:CID46931619
|
Local ready
Direct docking supported
|
|
E3L054157
BDB054157
|
BDBM50365562
CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2cccnc2)c(Cl)c1
|
C26H28ClN3O 433.983000 |
JZXXXZXRYGKIQA-NOZRDPDXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50365562; PubChem:CID46932796
|
Local ready
Direct docking supported
|
|
E3L054158
BDB054158
|
BDBM50365563
CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1
|
C27H30ClN3O2 464.009000 |
UMQZMTNEQMDJIG-NOZRDPDXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50365563; PubChem:CID56962365
|
Local ready
Direct docking supported
|
|
E3L054159
BDB054159
|
BDBM50365564
CCC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1
|
C28H32ClN3O2 478.036000 |
SIEZTYFZHKKXOQ-NOZRDPDXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50365564; PubChem:CID46931852
|
Local ready
Direct docking supported
|
|
E3L054160
BDB054160
|
BDBM50365565
COC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1
|
C27H30ClN3O3 480.008000 |
IEHPGROMDBPGLH-VWNXMTODSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50365565; PubChem:CID46931947
|
Local ready
Direct docking supported
|