| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049901
BDB049901
|
BDBM50251295
CCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)OC)C(C)(C)C
|
C16H30N2O5 330.425000 |
SSLGWMMLEYMVQE-DGCLKSJQSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50251295; PubChem:CID44567568
|
Local ready
Direct docking supported
|
|
E3L049902
BDB049902
|
BDBM50251296
CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC
|
C19H28N2O5 364.442000 |
NFPYAWXXOSFWEX-CVEARBPZSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50251296; PubChem:CID44567569
|
Local ready
Direct docking supported
|
|
E3L049903
BDB049903
|
BDBM50251297
CCCCN[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)OC
|
C15H29N3O5 331.413000 |
UNLPCLAWICVHGV-NEPJUHHUSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50251297; PubChem:CID44567571
|
Local ready
Direct docking supported
|
|
E3L049904
BDB049904
|
BDBM50251298
CCCCN(CCCC)[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)OC
|
C19H37N3O5 387.521000 |
BVCPWYGFNWRHJY-JKSUJKDBSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50251298; PubChem:CID44567572
|
Local ready
Direct docking supported
|
|
E3L049905
BDB049905
|
2-(1-aminoethyl)-1H-benzo[d]imidazole-4-carboxamide
CC(N)c1nc2cccc(C(N)=O)c2[nH]1
|
C10H12N4O 204.233000 |
NLZCKFMZIFZCKV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251519; PubChem:CID11960108
|
Local ready
Direct docking supported
|
|
E3L049906
BDB049906
|
BDBM50251545
CCCNC(C)c1nc2cccc(C(N)=O)c2[nH]1
|
C13H18N4O 246.314000 |
QRVIOJXPEZLSOL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251545; PubChem:CID11960109
|
Local ready
Direct docking supported
|
|
E3L049907
BDB049907
|
BDBM50251546
CC(C)NC(C)c1nc2cccc(C(N)=O)c2[nH]1
|
C13H18N4O 246.314000 |
XPSRYZVEQZZVLT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251546; PubChem:CID11960191
|
Local ready
Direct docking supported
|
|
E3L049908
BDB049908
|
BDBM50251547
CC(NCC1CC1)c1nc2cccc(C(N)=O)c2[nH]1
|
C14H18N4O 258.325000 |
HIHAJFWZTHNQSU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251547; PubChem:CID11960189
|
Local ready
Direct docking supported
|
|
E3L049909
BDB049909
|
BDBM50251548
CC(NC1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1
|
C15H20N4O 272.352000 |
RQKPNSJVJWVWRA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251548; PubChem:CID11960192
|
Local ready
Direct docking supported
|
|
E3L049910
BDB049910
|
BDBM50251549
CC(NC1CCCCC1)c1nc2cccc(C(N)=O)c2[nH]1
|
C16H22N4O 286.379000 |
FDVYKESEUOSJQY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251549; PubChem:CID11960193
|
Local ready
Direct docking supported
|
|
E3L049911
BDB049911
|
BDBM50251550
CCN(CC)C(C)c1nc2cccc(C(N)=O)c2[nH]1
|
C14H20N4O 260.341000 |
LBTIXOVIJCYPRV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251550; PubChem:CID44567831
|
Local ready
Direct docking supported
|
|
E3L049912
BDB049912
|
BDBM50251551
CC(NCCc1ccccc1)c1nc2cccc(C(N)=O)c2[nH]1
|
C18H20N4O 308.385000 |
XXZQDOTXLCKCGB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251551; PubChem:CID11960194
|
Local ready
Direct docking supported
|
|
E3L049913
BDB049913
|
BDBM50251579
CC(CCN)c1nc2cccc(C(N)=O)c2[nH]1
|
C12H16N4O 232.287000 |
MKNKKIXKJWXBHM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251579; PubChem:CID11960105
|
Local ready
Direct docking supported
|
|
E3L049914
BDB049914
|
BDBM50251580
CC(CCNC1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1
|
C17H24N4O 300.406000 |
NPMJSVQNMVYLOG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251580; PubChem:CID11960106
|
Local ready
Direct docking supported
|
|
E3L049915
BDB049915
|
BDBM50251581
CC(NS(=O)(=O)N(C)C)c1nc2c(C(N)=O)cccc2[nH]1
|
C12H17N5O3S 311.367000 |
RYLVEYRGUVPSIK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251581; PubChem:CID11960287
|
Local ready
Direct docking supported
|
|
E3L049916
BDB049916
|
BDBM50251582
CC(C)(N)c1nc2cccc(C(N)=O)c2[nH]1
|
C11H14N4O 218.260000 |
PUFLZOQOLMEQIG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251582; PubChem:CID11842605
|
Local ready
Direct docking supported
|
|
E3L049917
BDB049917
|
BDBM50251583
NC(=O)c1cccc2nc(C3(N)CC3)[nH]c12
|
C11H12N4O 216.244000 |
CTAXYWYGXVJMON-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251583; PubChem:CID11959914
|
Local ready
Direct docking supported
|
|
E3L049918
BDB049918
|
BDBM50251584
NC(=O)c1cccc2nc(C3(N)CCC3)[nH]c12
|
C12H14N4O 230.271000 |
LFVDZBQAIKNCKU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251584; PubChem:CID11960017
|
Local ready
Direct docking supported
|
|
E3L049919
BDB049919
|
BDBM50251585
NC(=O)c1cccc2nc(C3(N)CCCCC3)[nH]c12
|
C14H18N4O 258.325000 |
XQLANIOEMRZELR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251585; PubChem:CID44567867
|
Local ready
Direct docking supported
|
|
E3L049920
BDB049920
|
BDBM50251617
NC(=O)c1cccc2[nH]c(C3(N)CCc4ccccc4C3)nc12
|
C18H18N4O 306.369000 |
KFCGQVDSANSMGG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50251617; PubChem:CID44567901
|
Local ready
Direct docking supported
|