| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L061981
BDB061981
|
BDBM50591475
CCc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4Cl)ccc3o2)cc1
|
C22H16ClN3O4 421.840000 |
NWXFYWHSDHOWQC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50591475; PubChem:CID168291592
|
Local ready
Direct docking supported
|
|
E3L061982
BDB061982
|
BDBM50591476
CCc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])s4)ccc3o2)cc1
|
C20H15N3O4S 393.424000 |
BVMCWSZIRUWEBS-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50591476; PubChem:CID168270658
|
Local ready
Direct docking supported
|
|
E3L061983
BDB061983
|
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
C=CC(=O)Nc1ccc2oc(-c3ccc(CC)cc3)nc2c1
|
C18H16N2O2 292.338000 |
GSTPIFZMGCWPML-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50591477; PubChem:CID168271783
|
Local ready
Direct docking supported
|
|
E3L061984
BDB061984
|
BDBM50591478
CCc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4F)ccc3o2)cc1
|
C22H16FN3O4 405.385000 |
IKSFQSJTWNYRSZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50591478; PubChem:CID168294572
|
Local ready
Direct docking supported
|
|
E3L061985
BDB061985
|
BDBM50591479
CCc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Br)ccc3o2)cc1
|
C22H16BrN3O4 466.291000 |
BJSIVXYQIGFUCG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50591479; PubChem:CID2298593
|
Local ready
Direct docking supported
|
|
E3L061986
BDB061986
|
BDBM50591480
CCc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4I)ccc3o2)cc1
|
C22H16IN3O4 513.291000 |
YBYPRHRZISAFEZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50591480; PubChem:CID168296813
|
Local ready
Direct docking supported
|
|
E3L061987
BDB061987
|
Centrinone
COc1c(Nc2cc(C)[nH]n2)nc(Sc2ccc(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3F)cc2F)nc1N1CCOCC1
|
C26H25F2N7O6S2 633.659000 |
HHJSKDRCUMVWKF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50591939; PubChem:CID91801159
|
Local ready
Direct docking supported
|
|
E3L061988
BDB061988
|
BDBM50592253
NC(=O)c1cccc2cn(-c3ccc(OCCCC(=O)NO)cc3)nc12
|
C18H18N4O4 354.366000 |
DOTPXIISPOLXRL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50592253; PubChem:CID168290999
|
Local ready
Direct docking supported
|
|
E3L061989
BDB061989
|
BDBM50592254
NC(=O)c1cccc2cn(-c3ccc(OCCCCC(=O)NO)cc3)nc12
|
C19H20N4O4 368.393000 |
LDVCDHNBOJUNKO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50592254; PubChem:CID168275757
|
Local ready
Direct docking supported
|
|
E3L061990
BDB061990
|
BDBM50592255
NC(=O)c1cccc2cn(-c3ccc(OCCCCCC(=O)NO)cc3)nc12
|
C20H22N4O4 382.420000 |
SDKDBWKZDAKINH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50592255; PubChem:CID168275201
|
Local ready
Direct docking supported
|
|
E3L061991
BDB061991
|
BDBM50592256
NC(=O)c1cccc2cn(-c3ccc(OCCCCCCC(=O)NO)cc3)nc12
|
C21H24N4O4 396.447000 |
MIHSPCPMTQXROQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50592256; PubChem:CID168280166
|
Local ready
Direct docking supported
|
|
E3L061992
BDB061992
|
BDBM50592257
NC(=O)c1cccc2cn(-c3ccc(OCCCCCCCC(=O)NO)cc3)nc12
|
C22H26N4O4 410.474000 |
SFKPULXMQSKGAS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50592257; PubChem:CID168273233
|
Local ready
Direct docking supported
|
|
E3L061993
BDB061993
|
BDBM50592258
NC(=O)c1ccc(COc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)cc1
|
C22H18N4O3 386.411000 |
IQDRXCXNISQMPH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50592258; PubChem:CID168276619
|
Local ready
Direct docking supported
|
|
E3L061994
BDB061994
|
BDBM50592259
NC(=O)/C=C/c1ccc(COc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)cc1
|
C24H20N4O3 412.449000 |
IPPGXRJXMXVNLN-MDWZMJQESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50592259; PubChem:CID168295232
|
Local ready
Direct docking supported
|
|
E3L061995
BDB061995
|
BDBM50592260
NC(=O)c1cccc2[nH]c(-c3ccc(OCCCC(=O)NO)cc3)nc12
|
C18H18N4O4 354.366000 |
SOOFJTDYIBCYJZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50592260; PubChem:CID168281917
|
Local ready
Direct docking supported
|
|
E3L061996
BDB061996
|
BDBM50592261
NC(=O)c1cccc2[nH]c(-c3ccc(OCCCCC(=O)NO)cc3)nc12
|
C19H20N4O4 368.393000 |
CMWOJDFFSCPHNG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50592261; PubChem:CID168269003
|
Local ready
Direct docking supported
|
|
E3L061997
BDB061997
|
BDBM50592262
NC(=O)c1cccc2[nH]c(-c3ccc(OCCCCCC(=O)NO)cc3)nc12
|
C20H22N4O4 382.420000 |
UZDUZDYVDMAAGB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50592262; PubChem:CID168293266
|
Local ready
Direct docking supported
|
|
E3L061998
BDB061998
|
BDBM50592263
NC(=O)c1cccc2[nH]c(-c3ccc(OCCCCCCC(=O)NO)cc3)nc12
|
C21H24N4O4 396.447000 |
GJYAGUSEEGQLCW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50592263; PubChem:CID168289628
|
Local ready
Direct docking supported
|
|
E3L061999
BDB061999
|
BDBM50592264
NC(=O)c1cccc2[nH]c(-c3ccc(OCCCCCCCC(=O)NO)cc3)nc12
|
C22H26N4O4 410.474000 |
VMUJOBGUORBHLA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50592264; PubChem:CID168280907
|
Local ready
Direct docking supported
|
|
E3L062000
BDB062000
|
BDBM50592265
NC(=O)c1ccc(COc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)cc1
|
C22H18N4O3 386.411000 |
JMOFMHLKVOAXBU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50592265; PubChem:CID168293486
|
Local ready
Direct docking supported
|