| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052541
BDB052541
|
BDBM50319626
Cc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(S(C)(=O)=O)CC4)cc3)n2)s1
|
C20H24N6O2S2 444.586000 |
ZINARMLOUXQARO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50319626; PubChem:CID11744184
|
Local ready
Direct docking supported
|
|
E3L052542
BDB052542
|
BDBM50319627
CC(=O)N1CCN(c2ccc(Nc3nccc(-c4sc(C)nc4C)n3)cc2)CC1
|
C21H24N6OS 408.531000 |
WMIWANZLOJYLPU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50319627; PubChem:CID10024433
|
Local ready
Direct docking supported
|
|
E3L052543
BDB052543
|
4-Hydroxybenzoic acid hydrazide
NNC(=O)c1ccc(O)cc1
|
C7H8N2O2 152.153000 |
ZMZGIVVRBMFZSG-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50320734; PubChem:CID1742
|
Local ready
Direct docking supported
|
|
E3L052544
BDB052544
|
BDBM50320884
CS(=O)(=O)c1ccc(/C=C2\SC(=O)N(Cc3cccc(Cl)c3)C2=O)cc1
|
C18H14ClNO4S2 407.900000 |
JYUNPCQNWMVFGH-YBEGLDIGSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50320884; PubChem:CID46845962
|
Local ready
Direct docking supported
|
|
E3L052545
BDB052545
|
BDBM50320885
O=C1S/C(=C\c2ccc(-c3ccccc3)cc2)C(=O)N1Cc1cccc(Cl)c1
|
C23H16ClNO2S 405.906000 |
KNTRBWZBLRDYCS-STZFKDTASA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50320885; PubChem:CID46845963
|
Local ready
Direct docking supported
|
|
E3L052546
BDB052546
|
BDBM50320886
CS(=O)(=O)c1ccc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)cc1
|
C18H14BrNO4S2 452.351000 |
DKBISPYIRVDTHL-YBEGLDIGSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50320886; PubChem:CID46845964
|
Local ready
Direct docking supported
|
|
E3L052547
BDB052547
|
BDBM50320887
O=C1S/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1Cc1c(F)cccc1Cl
|
C17H9Cl3FNO2S 416.688000 |
WDQIIVBHQBXZQG-UUASQNMZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50320887; PubChem:CID46845965
|
Local ready
Direct docking supported
|
|
E3L052548
BDB052548
|
BDBM50321027
CCCC[C@@H]1CCCN1C(=O)c1cccc(-c2cccc(-n3ncc(C(=O)O)c3C3CC3)c2)c1
|
C28H31N3O3 457.574000 |
BVWKAUMFAYUKCN-HSZRJFAPSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50321027; PubChem:CID145975241
|
Local ready
Direct docking supported
|
|
E3L052549
BDB052549
|
BDBM50321036
C[C@H](Oc1cccc(-c2cccc(-n3ncc(C(=O)O)c3[C@@H]3C[C@H]3c3cn(C)nn3)c2)c1)C1CCCCC1
|
C30H33N5O3 511.626000 |
VZVCHNYRESPRBX-AFWDCEBSSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50321036; PubChem:CID126754132
|
Local ready
Direct docking supported
|
|
E3L052550
BDB052550
|
2-(4-Chlorophenyl)quinazolin-4-ol
O=c1[nH]c(-c2ccc(Cl)cc2)nc2ccccc12
|
C14H9ClN2O 256.692000 |
AKHUKZJZNGHOJU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50321122; PubChem:CID135404247
|
Local ready
Direct docking supported
|
|
E3L052551
BDB052551
|
BDBM50321892
COc1ccc(NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\c2[nH]cc(C(=O)O)c2C)cc1
|
C23H20N4O5 432.436000 |
VMAAFUOXTWPYRN-YVLHZVERSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50321892; PubChem:CID46898039
|
Local ready
Direct docking supported
|
|
E3L052552
BDB052552
|
3-Oxiranylbenzamide
NC(=O)c1cccc(C2CO2)c1
|
C9H9NO2 163.176000 |
LTNKXJKTQJSLMT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50322359; PubChem:CID45084012
|
Local ready
Direct docking supported
|
|
E3L052553
BDB052553
|
5-Bromo-1,2-dihydroisoquinolin-1-one
O=c1[nH]ccc2c(Br)cccc12
|
C9H6BrNO 224.057000 |
UKIWLFJYNMJPEG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50322360; PubChem:CID10466183
|
Local ready
Direct docking supported
|
|
E3L052554
BDB052554
|
4-phenylisoquinolin-1(2H)-one
O=c1[nH]cc(-c2ccccc2)c2ccccc12
|
C15H11NO 221.259000 |
NDQPDHVEGVZCSY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50322363; PubChem:CID12407724
|
Local ready
Direct docking supported
|
|
E3L052555
BDB052555
|
BDBM50322364
CN(C)Cc1ccc(-c2c[nH]c(=O)c3cccc(O)c23)cc1
|
C18H18N2O2 294.354000 |
NCBXZVLOVKDCMW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50322364; PubChem:CID9839073
|
Local ready
Direct docking supported
|
|
E3L052556
BDB052556
|
BDBM50322365
Cc1cccc2c(=O)[nH]c(CCN3CCC[C@@H]3CO)cc12
|
C17H22N2O2 286.375000 |
JIODGUURCXVIDC-CQSZACIVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50322365; PubChem:CID10424118
|
Local ready
Direct docking supported
|
|
E3L052557
BDB052557
|
BDBM50322366
CCN1CCC(c2nn(C)c3[nH]c(=O)c4ccccc4c23)CC1
|
C18H22N4O 310.401000 |
BHBMWGCVSKOSHS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50322366; PubChem:CID135511907
|
Local ready
Direct docking supported
|
|
E3L052558
BDB052558
|
BDBM50322367
O=C1NCCc2c(-c3ccc(CN4CCCC4)cc3)[nH]c3cccc1c23
|
C22H23N3O 345.446000 |
YGWPGDARNHILRV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50322367; PubChem:CID10450266
|
Local ready
Direct docking supported
|
|
E3L052559
BDB052559
|
BDBM50322460
CCCCC(Sc1nc(OCCC2CCCCC2)cc(OCCC2CCCCC2)n1)C(=O)O
|
C26H42N2O4S 478.699000 |
JIQMZCWTMHNZTD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322460; PubChem:CID46837918
|
Local ready
Direct docking supported
|
|
E3L052560
BDB052560
|
BDBM50322461
CCCCC(Sc1nc(OCCc2ccc(C(F)(F)F)cc2)cc(OCCc2ccc(C(F)(F)F)cc2)n1)C(=O)O
|
C28H28F6N2O4S 602.597000 |
KWJPWFIDIAXISF-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322461; PubChem:CID46837777
|
Local ready
Direct docking supported
|