| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L062021
BDB062021
|
BDBM50592670
C[C@H]1CCC[C@]2(C)CC3OC(=O)C(CN(C)CC(=O)N4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)C3C=C12
|
C38H44FN5O5 669.798000 |
SLPOCHCCDQQVAW-KJWDQOKMSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50592670
|
Local ready
Direct docking supported
|
|
E3L062022
BDB062022
|
BDBM50592671
C[C@H]1CCC[C@]2(C)CC3OC(=O)C(CN(C)CCC(=O)N4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)C3C=C12
|
C39H46FN5O5 683.825000 |
JTELQLKFQHNTDW-IHIAKBFJSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50592671
|
Local ready
Direct docking supported
|
|
E3L062023
BDB062023
|
BDBM50592672
C[C@H]1CCC[C@]2(C)CC3OC(=O)C(CN(C)CCCC(=O)N4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)C3C=C12
|
C40H48FN5O5 697.852000 |
WLAFRCWZJRDTPO-QHJHHLAQSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50592672
|
Local ready
Direct docking supported
|
|
E3L062024
BDB062024
|
BDBM50592673
C[C@H]1CCC[C@]2(C)CC3OC(=O)C(CNOCC(=O)N4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)C3C=C12
|
C37H42FN5O6 671.770000 |
QTWFIKLRXYTIAV-QKLXZVGWSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50592673
|
Local ready
Direct docking supported
|
|
E3L062025
BDB062025
|
BDBM50592674
C[C@H]1CCC[C@]2(C)CC3OC(=O)C(CNCCOCCOCCOCC(=O)N4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)C3C=C12
|
C43H54FN5O8 787.930000 |
MGXDQTAACPKWJY-BGVLZMLFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50592674
|
Local ready
Direct docking supported
|
|
E3L062026
BDB062026
|
BDBM50592675
C[C@]12CCC=C(CO)C1=CC1C(C2)OC(=O)C1CN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C35H37FN4O5 612.702000 |
CACQFFWWQAWTOE-ZDRANEGGSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50592675
|
Local ready
Direct docking supported
|
|
E3L062027
BDB062027
|
BDBM50592676
C[C@]12CCC=C(CO)C1=CC1C(C2)OC(=O)C1CNCCOCCOCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C41H48FN5O8 757.860000 |
VMBHQMWJBOCEEM-ICJUCTAASA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50592676
|
Local ready
Direct docking supported
|
|
E3L062028
BDB062028
|
BDBM50592677
C[C@]12CCC=C(C=O)C1=CC1C(C2)OC(=O)C1CNCCOCCOCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C41H46FN5O8 755.844000 |
BNXBGPGYCQVUIJ-ICJUCTAASA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50592677
|
Local ready
Direct docking supported
|
|
E3L062029
BDB062029
|
BDBM50592678
C[C@]12CCC=C(CO)C1=CC1C(C2)OC(=O)C1CNCCCCCCCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C43H52FN5O6 753.916000 |
MMNNXVUSJVXEKP-QGVSNHLOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50592678
|
Local ready
Direct docking supported
|
|
E3L062030
BDB062030
|
BDBM50592745
COCC1CN(C2CCN(c3cc(OC)c(Nc4ncc(Br)c(Nc5ccc6c(c5P(C)(C)=O)OCCO6)n4)cc3C)CC2)C1
|
C32H42BrN6O5P 701.603000 |
LVLFSSZNAIKYCD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50592745
|
Local ready
Direct docking supported
|
|
E3L062031
BDB062031
|
BDBM50593282
C[C@@H](NC1(C)CCC1)c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)CC(F)(F)C3)c1)C2=O
|
C30H32F5N5O 573.610000 |
WPMBSZUSDZRKJO-GOSISDBHSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50593282; PubChem:CID164869060
|
Local ready
Direct docking supported
|
|
E3L062032
BDB062032
|
BDBM50593283
C[C@@H](NC1(C)CCC1)c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3([C@@H](F)c4nncn4C)COC3)c1)C2=O
|
C29H31F4N5O2 557.592000 |
NJOKETZTARBFPO-OSPHWJPCSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50593283; PubChem:CID164869203
|
Local ready
Direct docking supported
|
|
E3L062033
BDB062033
|
BDBM50593284
CC(C)[C@@H]1CN(C)CCN1Cc1cc2c(c(C(F)(F)F)c1)CN(c1cc(C3(Cc4nncn4C)COC3)cc(OC3CCCC3)n1)C2=O
|
C35H44F3N7O3 667.777000 |
KLPFKFUBXIWSDL-LJAQVGFWSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50593284
|
Local ready
Direct docking supported
|
|
E3L062034
BDB062034
|
Cbl-b-IN-9
Cn1cnnc1CC1(c2cc(C3CC3)nc(N3Cc4c(cc(CNC5(C)CCC5)cc4C(F)(F)F)C3=O)c2)COC1
|
C30H33F3N6O2 566.628000 |
MNELVOQWIAZVEZ-UHFFFAOYSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50593285; PubChem:CID167404364
|
Local ready
Direct docking supported
|
|
E3L062035
BDB062035
|
Cbl-b-IN-10
CCNc1cc(N2Cc3c(cc(CNC4(C)CCC4)cc3C(F)(F)F)C2=O)cc(C2(Cc3nncn3C)CCC2)c1
|
C31H37F3N6O 566.672000 |
KVHFSZCGFDFVQF-UHFFFAOYSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50593286; PubChem:CID164869205
|
Local ready
Direct docking supported
|
|
E3L062036
BDB062036
|
Cbl-b-IN-11
CCNc1cc(N2Cc3c(cc(CNC4(C)CCC4)cc3C(F)(F)F)C2=O)cc(C2(Cc3nncn3C)CC(F)(F)C2)c1
|
C31H35F5N6O 602.652000 |
KBKIADQDXADPGR-UHFFFAOYSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50593287; PubChem:CID164869105
|
Local ready
Direct docking supported
|
|
E3L062037
BDB062037
|
Ppar|A agonist 2
COc1cc(OC)c2c(=O)c(OCc3ccccc3)c(-c3ccccc3)oc2c1
|
C24H20O5 388.419000 |
SYAPZOACBBPGKH-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50593478; PubChem:CID163322389
|
Local ready
Direct docking supported
|
|
E3L062038
BDB062038
|
BDBM50593486
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
|
C37H43NO4 565.754000 |
XYMQLACGAYNBRX-PNXYMTDXSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50593486; PubChem:CID50925432
|
Local ready
Direct docking supported
|
|
E3L062039
BDB062039
|
BDBM50593487
CCCOc1ccc(CC(Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(-c2ncccn2)cc1
|
C31H31N3O4 509.606000 |
DEAVJKJURZRSJV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50593487; PubChem:CID76461182
|
Local ready
Direct docking supported
|
|
E3L062040
BDB062040
|
BDBM50593624
N#Cc1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)C3CCCNC43)CC2)nc1
|
C23H26N6O 402.502000 |
JMPOHTPVCKISQL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50593624; PubChem:CID168297855
|
Local ready
Direct docking supported
|