| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044021
BDB044021
|
BDBM50019085
Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)s2)c1
|
C22H22O3S 366.482000 |
URSOBHRUTRGXRS-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50019085; PubChem:CID90644288
|
Local ready
Direct docking supported
|
|
E3L044022
BDB044022
|
2-(4-Nitrophenyl)quinazolin-4(1H)-one
O=c1[nH]c(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12
|
C14H9N3O3 267.244000 |
PDSXUXCWTDUVSZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50019164; PubChem:CID135402338
|
Local ready
Direct docking supported
|
|
E3L044023
BDB044023
|
2-(4'-Hydroxyphenyl)quinazolin-4(3H)-one (2)
O=c1[nH]c(-c2ccc(O)cc2)nc2ccccc12
|
C14H10N2O2 238.246000 |
HMZVOPJPTNTGGO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50019165; PubChem:CID135405744
|
Local ready
Direct docking supported
|
|
E3L044024
BDB044024
|
2-(4-Methoxyphenyl)quinazolin-4-ol
COc1ccc(-c2nc(O)c3ccccc3n2)cc1
|
C15H12N2O2 252.273000 |
HETSSARHFAGODR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50019166; PubChem:CID135430309
|
Local ready
Direct docking supported
|
|
E3L044025
BDB044025
|
2-(4-Methylphenyl)quinazolin-4(3H)-one
Cc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1
|
C15H12N2O 236.274000 |
UTEHUKGJDLVHIH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50019167; PubChem:CID135452109
|
Local ready
Direct docking supported
|
|
E3L044026
BDB044026
|
BDBM50020149
CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(c2ccccc2OCCOC)CC1
|
C36H40F6N4O5 722.727000 |
WAKAOKPIMUQSES-FJQKOURKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50020149
|
Local ready
Direct docking supported
|
|
E3L044027
BDB044027
|
BDBM50020150
COCCOc1ccccc1N1CCN(C(=O)[C@]2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)[C@@H]2CC(O)CO)CC1
|
C36H40F6N4O7 754.725000 |
VIVLZPBBGBMFDQ-UJJIYMDQSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50020150
|
Local ready
Direct docking supported
|
|
E3L044028
BDB044028
|
BDBM50020151
COCCOc1ccccc1N1CCN(C(=O)[C@]2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)[C@@H]2CCO)CC1
|
C35H38F6N4O6 724.699000 |
GOOKVWRPGSXHEA-NDKRRWIDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50020151
|
Local ready
Direct docking supported
|
|
E3L044029
BDB044029
|
2,5-Dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
Cc1cc2c(c(C(N)=O)c1)OC(C)C2
|
C11H13NO2 191.230000 |
WXGKHDYMZGKMCR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020601; PubChem:CID90644820
|
Local ready
Direct docking supported
|
|
E3L044030
BDB044030
|
(2S)-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
C[C@H]1Cc2cccc(C(N)=O)c2O1
|
C10H11NO2 177.203000 |
JKXUEKXDADMQFP-LURJTMIESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020602; PubChem:CID90644821
|
Local ready
Direct docking supported
|
|
E3L044031
BDB044031
|
(2R)-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
C[C@@H]1Cc2cccc(C(N)=O)c2O1
|
C10H11NO2 177.203000 |
JKXUEKXDADMQFP-ZCFIWIBFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020603; PubChem:CID90644822
|
Local ready
Direct docking supported
|
|
E3L044032
BDB044032
|
2-Methyl-2,3-dihydro-1-benzofuran-7-carboxamide
CC1Cc2cccc(C(N)=O)c2O1
|
C10H11NO2 177.203000 |
JKXUEKXDADMQFP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020604; PubChem:CID90644823
|
Local ready
Direct docking supported
|
|
E3L044033
BDB044033
|
5-Amino-2,3-dihydrobenzofuran-7-carboxamide
NC(=O)c1cc(N)cc2c1OCC2
|
C9H10N2O2 178.191000 |
LFJLJGFDJZJTKK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020605; PubChem:CID90644824
|
Local ready
Direct docking supported
|
|
E3L044034
BDB044034
|
5-Nitro-2,3-dihydrobenzofuran-7-carboxamide
NC(=O)c1cc([N+](=O)[O-])cc2c1OCC2
|
C9H8N2O4 208.173000 |
GAMSIIYRKBPBNJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020606; PubChem:CID90644825
|
Local ready
Direct docking supported
|
|
E3L044035
BDB044035
|
5-Bromo-2,3-dihydrobenzofuran-7-carboxamide
NC(=O)c1cc(Br)cc2c1OCC2
|
C9H8BrNO2 242.072000 |
JHHRFZWCOAWUOB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020607; PubChem:CID2821781
|
Local ready
Direct docking supported
|
|
E3L044036
BDB044036
|
2,3-Dihydrobenzofuran-7-carboxamide
NC(=O)c1cccc2c1OCC2
|
C9H9NO2 163.176000 |
WJVVPYVGCDWJKB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020608; PubChem:CID19963762
|
Local ready
Direct docking supported
|
|
E3L044037
BDB044037
|
BDBM50020609
CC1Cc2cc(F)cc(C(N)=O)c2O1
|
C10H10FNO2 195.193000 |
ZPHKBVTUIABAIO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020609; PubChem:CID90644826
|
Local ready
Direct docking supported
|
|
E3L044038
BDB044038
|
BDBM50020610
C[C@@H]1Cc2cc(F)cc(C(N)=O)c2O1
|
C10H10FNO2 195.193000 |
ZPHKBVTUIABAIO-RXMQYKEDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020610; PubChem:CID74983349
|
Local ready
Direct docking supported
|
|
E3L044039
BDB044039
|
BDBM50020611
C[C@H]1Cc2cc(F)cc(C(N)=O)c2O1
|
C10H10FNO2 195.193000 |
ZPHKBVTUIABAIO-YFKPBYRVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020611; PubChem:CID90644827
|
Local ready
Direct docking supported
|
|
E3L044040
BDB044040
|
2-Methyl-5-nitro-2,3-dihydro-1-benzofuran-7-carboxamide
CC1Cc2cc([N+](=O)[O-])cc(C(N)=O)c2O1
|
C10H10N2O4 222.200000 |
ZKQAOVSCYXKRLS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020612; PubChem:CID90644828
|
Local ready
Direct docking supported
|