| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L064761
BDB064761
|
BDBM50638708
CNC(=O)/C=C/c1ccc(O)c(/C=C/c2cc(O)cc(O)c2)c1
|
C18H17NO4 311.337000 |
POFRAZKBBNZSQQ-XIIDOLPRSA-N | Q96FA3 | E3 ubiquitin-protein ligase pellino homolog 1 |
BindingDB, PubChem
BindingDB:BDBM50638708; PubChem:CID172440872
|
Local ready
Direct docking supported
|
|
E3L064762
BDB064762
|
BDBM50638709
O=C(/C=C/c1ccc(O)c(/C=C/c2cc(O)cc(O)c2)c1)N1CCCCC1
|
C22H23NO4 365.429000 |
IAQHPXDCPGKVAX-KRHXFINASA-N | Q96FA3 | E3 ubiquitin-protein ligase pellino homolog 1 |
BindingDB, PubChem
BindingDB:BDBM50638709; PubChem:CID172459200
|
Local ready
Direct docking supported
|
|
E3L064763
BDB064763
|
BDBM50638710
C/C=C/C(=O)Nc1ccc(O)c(/C=C/c2cc(O)cc(O)c2)c1
|
C18H17NO4 311.337000 |
HXUSTSZIDUABAO-MQQKCMAXSA-N | Q96FA3 | E3 ubiquitin-protein ligase pellino homolog 1 |
BindingDB, PubChem
BindingDB:BDBM50638710; PubChem:CID172467671
|
Local ready
Direct docking supported
|
|
E3L064764
BDB064764
|
Phenyl(1H-pyrrol-2-YL)methanone
O=C(c1ccccc1)c1ccc[nH]1
|
C11H9NO 171.199000 |
NFGGQMYSOLVBLF-UHFFFAOYSA-N | Q96FA3 | E3 ubiquitin-protein ligase pellino homolog 1 |
BindingDB, PubChem
BindingDB:BDBM50638711; PubChem:CID24370
|
Local ready
Direct docking supported
|
|
E3L064765
BDB064765
|
Nicotinanilide
O=C(Nc1ccccc1)c1cccnc1
|
C12H10N2O 198.225000 |
NYQXIOZBHWFCBU-UHFFFAOYSA-N | Q96FA3 | E3 ubiquitin-protein ligase pellino homolog 1 |
BindingDB, PubChem
BindingDB:BDBM50638712; PubChem:CID74463
|
Local ready
Direct docking supported
|
|
E3L064766
BDB064766
|
n-Methylcinnamamide
CNC(=O)/C=C/c1ccccc1
|
C10H11NO 161.204000 |
JNXLTSSPACJLEG-BQYQJAHWSA-N | Q96FA3 | E3 ubiquitin-protein ligase pellino homolog 1 |
BindingDB, PubChem
BindingDB:BDBM50638713; PubChem:CID6039989
|
Local ready
Direct docking supported
|
|
E3L064767
BDB064767
|
BDBM50638862
CCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(NS(=O)(=O)c4ccc(CC)cc4)cc3)cc2)cc1
|
C28H28N2O4S2 520.676000 |
CFZJSVICEGWSCL-UHFFFAOYSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM50638862; PubChem:CID1358769
|
Local ready
Direct docking supported
|
|
E3L064768
BDB064768
|
BDBM50638863
COC(=O)CC[C@H](NC(=O)[C@H](C)NC[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)CF
|
C23H34FN3O6 467.538000 |
JYYUGUOJNVQZTQ-YTQUADARSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM50638863; PubChem:CID177376193
|
Local ready
Direct docking supported
|
|
E3L064769
BDB064769
|
BDBM50638864
C#Cc1ccc(COC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)OC)C(=O)CF)C(C)C)cc1
|
C25H32FN3O7 505.543000 |
MXBHZASWVKHGRE-BPXKWBHBSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM50638864; PubChem:CID177376194
|
Local ready
Direct docking supported
|
|
E3L064770
BDB064770
|
BDBM50638920
COc1ccc(F)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC2CC3(CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)C2)s1
|
C40H35F2N7O5S 763.827000 |
UTWLDWAFEKZNCC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50638920
|
Local ready
Direct docking supported
|
|
E3L064771
BDB064771
|
Pol|E/PARP-IN-1
COc1ccc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OCC2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)s1
|
C38H33ClFN7O5S 754.244000 |
BWTOWBOMDHKCDB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50638922; PubChem:CID171037991
|
Local ready
Direct docking supported
|
|
E3L064772
BDB064772
|
Keap1-Nrf2-IN-18
CCOc1cccnc1Cc1ccc([C@H](F)C(=O)N[C@H](c2ccc(C)cc2)[C@@H](C)C(=O)O)cc1
|
C27H29FN2O4 464.537000 |
BFXQKBUFKIVUSI-YWWLGCSWSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50639003; PubChem:CID171037983
|
Local ready
Direct docking supported
|
|
E3L064773
BDB064773
|
Keap1-Nrf2-IN-19
Cc1ccc([C@H](F)C(=O)N[C@H](c2ccc(C)c(OCC3(C#N)CC3)c2)[C@@H](C)C(=O)O)cc1
|
C25H27FN2O4 438.499000 |
VXEWXCGZPAPUTJ-WTNAPCKOSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50639004; PubChem:CID171037984
|
Local ready
Direct docking supported
|
|
E3L064774
BDB064774
|
BDBM50639005
Cc1ccc([C@@H](NC(=O)[C@@H](F)c2ccc(Cl)cc2)[C@@H](C)C(=O)O)cc1OCC(C)(C)C#N
|
C24H26ClFN2O4 460.933000 |
GXGNPULBKHMWLA-NQERJWCQSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50639005; PubChem:CID171390626
|
Local ready
Direct docking supported
|
|
E3L064775
BDB064775
|
PARP7/HDACs-IN-1
C[C@@H](COCCC(=O)N1CCN(c2ncc(OCc3ccc(/C=C/C(=O)NO)cc3)cn2)CC1)Nc1cn[nH]c(=O)c1C(F)(F)F
|
C29H33F3N8O6 646.627000 |
BIFMDHUVYGGFCU-GHOSXJJBSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50639061; PubChem:CID171038089
|
Local ready
Direct docking supported
|
|
E3L064776
BDB064776
|
BDBM50639156
Cn1cc(-c2ccc(=O)n(CCOc3ccnc4cc(OCCN5CCN(C(=O)c6cc(Cc7n[nH]c(=O)c8ccccc78)ccc6F)CC5)ccc34)n2)cn1
|
C41H38FN9O5 755.811000 |
XRRMNZJUZRPHGN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50639156; PubChem:CID177376378
|
Local ready
Direct docking supported
|
|
E3L064777
BDB064777
|
BDBM50639157
Cn1cc(-c2ccc(=O)n(CCOc3ccnc4cc(NCCN5CCN(C(=O)c6cc(Cc7n[nH]c(=O)c8ccccc78)ccc6F)CC5)ccc34)n2)cn1
|
C41H39FN10O4 754.827000 |
NVLYHUFCIAZHEC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50639157
|
Local ready
Direct docking supported
|
|
E3L064778
BDB064778
|
BDBM50639158
Cn1cc(-c2ccc(=O)n(CCOc3ccnc4cc(OC5CCN(C(=O)c6cc(Cc7n[nH]c(=O)c8ccccc78)ccc6F)CC5)ccc34)n2)cn1
|
C40H35FN8O5 726.769000 |
LDHDBWVVGLOOFK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50639158; PubChem:CID175559643
|
Local ready
Direct docking supported
|
|
E3L064779
BDB064779
|
BDBM50639159
Cn1cc(-c2ccc(=O)n(CCOc3ccnc4cc(NC5CCN(C(=O)c6cc(Cc7n[nH]c(=O)c8ccccc78)ccc6F)CC5)ccc34)n2)cn1
|
C40H36FN9O4 725.785000 |
ZIZAGKWTJFKACS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50639159; PubChem:CID175559653
|
Local ready
Direct docking supported
|
|
E3L064780
BDB064780
|
BDBM50639160
Cn1cc(-c2ccc(=O)n(CCOc3ccnc4cc(N5CCC(NC(=O)c6cc(Cc7n[nH]c(=O)c8ccccc78)ccc6F)CC5)ccc34)n2)cn1
|
C40H36FN9O4 725.785000 |
INLBHAOCYUPABD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50639160; PubChem:CID177376380
|
Local ready
Direct docking supported
|