| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L062061
BDB062061
|
BDBM50593804
O=C(O)CN(c1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(-c3ccccc3)cc2)c(OCc2ccccc2)c1)S(=O)(=O)c1ccc(-c2ccccc2)cc1
|
C41H34N2O9S2 762.862000 |
PPAVPTUSMNPROA-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593804; PubChem:CID168274486
|
Local ready
Direct docking supported
|
|
E3L062062
BDB062062
|
BDBM50593805
O=C(O)CN(c1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(F)cc2)c(OCc2ccccc2)c1)S(=O)(=O)c1ccc(F)cc1
|
C29H24F2N2O9S2 646.646000 |
YEZFKANNSQNWMJ-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593805; PubChem:CID168282203
|
Local ready
Direct docking supported
|
|
E3L062063
BDB062063
|
BDBM50593806
O=C(O)CN(c1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(OCc2ccccc2)c1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
|
C31H24F6N2O9S2 746.660000 |
ZHEFNYFMESDELE-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593806; PubChem:CID168269556
|
Local ready
Direct docking supported
|
|
E3L062064
BDB062064
|
BDBM50593807
O=C(O)CN(c1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(Br)cc2)c(OCc2ccccc2)c1)S(=O)(=O)c1ccc(Br)cc1
|
C29H24Br2N2O9S2 768.458000 |
ZWLXITPIUVTPDI-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593807; PubChem:CID168280361
|
Local ready
Direct docking supported
|
|
E3L062065
BDB062065
|
BDBM50593808
Cc1cccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3cccc(C)c3)c(OCc3ccccc3)c2)c1
|
C31H30N2O9S2 638.720000 |
PKFCZHGGONJKQF-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593808; PubChem:CID168297280
|
Local ready
Direct docking supported
|
|
E3L062066
BDB062066
|
Keap1-Nrf2-IN-7
Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(C)cc3)c(OCc3ccc(F)cc3)c2)cc1
|
C31H29FN2O9S2 656.710000 |
AMDAELCCBYMSGM-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593809; PubChem:CID163409156
|
Local ready
Direct docking supported
|
|
E3L062067
BDB062067
|
BDBM50593810
Cc1cc(C)c(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3c(C)cc(C)cc3C)c(OCc3ccc(F)cc3)c2)c(C)c1
|
C35H37FN2O9S2 712.818000 |
AZZZKGAGWARVMN-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593810; PubChem:CID168269360
|
Local ready
Direct docking supported
|
|
E3L062068
BDB062068
|
BDBM50593811
Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(C)cc3)c(OCc3ccc4ccccc4c3)c2)cc1
|
C35H32N2O9S2 688.780000 |
GEYONVKNHOCFKZ-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593811; PubChem:CID168297860
|
Local ready
Direct docking supported
|
|
E3L062069
BDB062069
|
BDBM50593812
Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(C)cc3)c(OCc3ccc(-c4ccccc4)cc3)c2)cc1
|
C37H34N2O9S2 714.818000 |
DPXLPUCVKPYNBC-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593812; PubChem:CID168284428
|
Local ready
Direct docking supported
|
|
E3L062070
BDB062070
|
BDBM50593813
Cc1ccc(S(=O)(=O)N(Cc2nnn[nH]2)c2ccc(N(Cc3nnn[nH]3)S(=O)(=O)c3ccc(C)cc3)c(OCc3ccc(F)cc3)c2)cc1
|
C31H29FN10O5S2 704.770000 |
XAFFYBBGVPVCLK-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593813; PubChem:CID168287866
|
Local ready
Direct docking supported
|
|
E3L062071
BDB062071
|
BDBM50593814
Cc1ccc(S(=O)(=O)N(c2ccc(N([C@@H](C)C(=O)O)S(=O)(=O)c3ccc(C)cc3)c(OCc3ccc(F)cc3)c2)[C@@H](C)C(=O)O)cc1
|
C33H33FN2O9S2 684.764000 |
HOEKCBWTPGKBBS-ZEQRLZLVSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593814; PubChem:CID168292075
|
Local ready
Direct docking supported
|
|
E3L062072
BDB062072
|
Keap1-Nrf2-IN-8
Cc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(OCc3ccc(F)cc3)c(N(CC(=O)O)S(=O)(=O)c3ccc(C)cc3)c3ccccc23)cc1
|
C35H31FN2O9S2 706.770000 |
FXADTNLKEANMJS-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593815; PubChem:CID163409157
|
Local ready
Direct docking supported
|
|
E3L062073
BDB062073
|
4-(Cyclobutylmethoxy)benzamide
NC(=O)c1ccc(OCC2CCC2)cc1
|
C12H15NO2 205.257000 |
BFGNGDGWDOFCPT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50593992; PubChem:CID67115989
|
Local ready
Direct docking supported
|
|
E3L062074
BDB062074
|
Parp10/15-IN-3
O=c1[nH][nH]c(=O)c2cc(OCC3CCCCC3)ccc12
|
C15H18N2O3 274.320000 |
PCAWJIMDNGAMRA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50594005; PubChem:CID166597670
|
Local ready
Direct docking supported
|
|
E3L062075
BDB062075
|
Parp10/15-IN-2
O=c1[nH][nH]c(=O)c2cc(OCc3ccccc3F)ccc12
|
C15H11FN2O3 286.262000 |
GJJIICZAOJXOEJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50594010; PubChem:CID163409145
|
Local ready
Direct docking supported
|
|
E3L062076
BDB062076
|
Parp10/15-IN-1
O=c1[nH][nH]c(=O)c2cc(OCc3ccsc3)ccc12
|
C13H10N2O3S 274.301000 |
RFKWWUGSOVDNFF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50594011; PubChem:CID166597669
|
Local ready
Direct docking supported
|
|
E3L062077
BDB062077
|
PARP11 inhibitor ITK7
CC#Cc1ccc2c(=O)[nH]c(CSc3ncccn3)nc2c1C
|
C17H14N4OS 322.393000 |
VRECINGNBPANGK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50594012; PubChem:CID137701959
|
Local ready
Direct docking supported
|
|
E3L062078
BDB062078
|
BDBM50594023
Cc1ccccc1NC(=O)c1ccc(NC(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)cc1
|
C35H31FN6O4 618.669000 |
ANAQCVXUMUTPJY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50594023; PubChem:CID168273464
|
Local ready
Direct docking supported
|
|
E3L062079
BDB062079
|
BDBM50594024
Cc1ccc(NC(=O)c2ccc(NC(=O)N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)cc2)cc1
|
C35H31FN6O4 618.669000 |
PBOOUBWKFXDCRA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50594024; PubChem:CID168278040
|
Local ready
Direct docking supported
|
|
E3L062080
BDB062080
|
BDBM50594025
O=C(Nc1ccccc1F)c1ccc(NC(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)cc1
|
C34H28F2N6O4 622.632000 |
PVRVKAMGYYHFJO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50594025; PubChem:CID168272772
|
Local ready
Direct docking supported
|