| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L017541
BDB017541
|
BDBM415705
COc1cc(OC)c(S(=O)(=O)N(CC(=O)O)c2ccc(OC(C(=O)O)c3ccc(OC(C)C)cc3)c3ccccc23)c(OC)c1
|
C32H33NO11S 639.679000 |
DEMATFZLTHONLJ-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM415705; PubChem:CID154584184
|
Local ready
Direct docking supported
|
|
E3L017542
BDB017542
|
BDBM415706
COc1cc(OC)c(S(=O)(=O)N(CC(=O)O)c2ccc(OC(C(=O)O)c3ccc(F)cc3)c3ccccc23)c(OC)c1
|
C29H26FNO10S 599.589000 |
WVSQRZIMQWALJT-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM415706; PubChem:CID154584185
|
Local ready
Direct docking supported
|
|
E3L017543
BDB017543
|
BDBM415707
COc1ccc(C(Oc2ccc(N(Cc3nn[nH]n3)S(=O)(=O)c3c(C)cc(C)cc3C)c3ccccc23)C(=O)O)cc1
|
C30H29N5O6S 587.658000 |
FJBXJUYVVVBRFM-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM415707; PubChem:CID135315682
|
Local ready
Direct docking supported
|
|
E3L017544
BDB017544
|
BDBM415708
Cc1cc(C)c(S(=O)(=O)N(CC(=O)O)c2ccc(OC(CC(=O)O)c3ccccc3)c3ccccc23)c(C)c1
|
C30H29NO7S 547.629000 |
DPCJVXCKIOCDNF-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM415708; PubChem:CID154584186
|
Local ready
Direct docking supported
|
|
E3L017545
BDB017545
|
Ac-LDEETGEFL-OH
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O
|
C48H71N9O20 1094.139000 |
GAFLTUQDNVDCCP-PRDVVYQQSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM415709; PubChem:CID154584187
|
Local ready
Direct docking supported
|
|
E3L017546
BDB017546
|
BDBM416926
N#Cc1cccc(C(NCC2CC2)c2ccc(F)c(NC(=O)c3cc(C(F)(F)F)nn3-c3cccc(CN)c3)c2)c1
|
C30H26F4N6O 562.571000 |
UXNXMBYCBRBRFD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM416926; PubChem:CID118355809
|
Local ready
Direct docking supported
|
|
E3L017547
BDB017547
|
BDBM419656
COc1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)cc1
|
C24H28N4O2 404.514000 |
TYLKPOIPJICPNC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419656; PubChem:CID124134702
|
Local ready
Direct docking supported
|
|
E3L017548
BDB017548
|
BDBM419668
COc1cc(CN2CCN(c3ccc(F)cc3)CC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C24H27FN4O2 422.504000 |
GTHQLHXXYZAOTR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419668; PubChem:CID134586982
|
Local ready
Direct docking supported
|
|
E3L017549
BDB017549
|
BDBM419669
CCOc1cc(CN2CCN(c3ccc(F)cc3)CC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C25H29FN4O2 436.531000 |
CQOMJJPHLLXLSG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419669; PubChem:CID134586984
|
Local ready
Direct docking supported
|
|
E3L017550
BDB017550
|
BDBM419670
Cc1cc(CN2CCN(c3ccccn3)CC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C23H27N5O 389.503000 |
PDSXIALSNDEWNZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419670; PubChem:CID134595843
|
Local ready
Direct docking supported
|
|
E3L017551
BDB017551
|
BDBM419671
Cc1cc(CN2CCN(c3ncc(F)cn3)CC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C22H25FN6O 408.481000 |
PFQPZPRXTLJGIY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419671; PubChem:CID134595840
|
Local ready
Direct docking supported
|
|
E3L017552
BDB017552
|
BDBM419672
Cc1cc(CN2CCN(c3ccc(F)cn3)CC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C23H26FN5O 407.493000 |
KHGMRXFPRSSDPX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419672; PubChem:CID134595855
|
Local ready
Direct docking supported
|
|
E3L017553
BDB017553
|
BDBM419673
Cc1cc(CN2CCN(c3ncccc3F)CC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C23H26FN5O 407.493000 |
JDZJAOIHQUPBLC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419673; PubChem:CID134595846
|
Local ready
Direct docking supported
|
|
E3L017554
BDB017554
|
BDBM419674
Cc1cc(CN2CCN(c3ncc(Cl)cc3F)CC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C23H25ClFN5O 441.938000 |
CWNRIFDSPZLVNI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419674; PubChem:CID134595841
|
Local ready
Direct docking supported
|
|
E3L017555
BDB017555
|
BDBM419675
Cc1cc(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C24H25ClF3N5O 491.945000 |
ZHGIYYLLMTUDJR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419675; PubChem:CID134595867
|
Local ready
Direct docking supported
|
|
E3L017556
BDB017556
|
BDBM419676
Cc1cc(CN2CCN(c3ccc(Cl)cn3)CC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C23H26ClN5O 423.948000 |
MEDSNDZTFBGGLY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419676; PubChem:CID134595869
|
Local ready
Direct docking supported
|
|
E3L017557
BDB017557
|
BDBM419677
Cc1cc(CN2CCN(c3ncccc3Cl)CC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C23H26ClN5O 423.948000 |
YBLMXBOZGFABAJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419677; PubChem:CID134595837
|
Local ready
Direct docking supported
|
|
E3L017558
BDB017558
|
BDBM419678
Cc1cc(CN2CCN(c3ccc(Br)cn3)CC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C23H26BrN5O 468.399000 |
REVXRSKWKAMULN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419678; PubChem:CID134595849
|
Local ready
Direct docking supported
|
|
E3L017559
BDB017559
|
BDBM419679
Cc1cccnc1N1CCN(Cc2cc(C)c3c4c(c(=O)[nH]c3c2)CCCN4)CC1
|
C24H29N5O 403.530000 |
WEWHCHRGRVSRSP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419679; PubChem:CID134595842
|
Local ready
Direct docking supported
|
|
E3L017560
BDB017560
|
BDBM419680
CNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c5c(c(=O)[nH]c4c3)CCCN5)CC2)nc1
|
C25H30N6O2 446.555000 |
QCVYVUMTVIJQQN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419680; PubChem:CID134595844
|
Local ready
Direct docking supported
|