| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049841
BDB049841
|
BDBM50248802
CC(C)(C)OC(=O)N1CCC(NC(=O)c2nc3c(C(N)=O)cccc3[nH]2)C1
|
C18H23N5O4 373.413000 |
ZMKVPLZCDKNNBP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248802; PubChem:CID137631697
|
Local ready
Direct docking supported
|
|
E3L049842
BDB049842
|
BDBM50248803
CC(C)CCN1CCCC(NC(=O)c2nc3c(C(N)=O)cccc3[nH]2)C1
|
C19H27N5O2 357.458000 |
YXTNGSLIMJYOJY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248803; PubChem:CID137659059
|
Local ready
Direct docking supported
|
|
E3L049843
BDB049843
|
BDBM50248804
NC(=O)c1cccc2[nH]c(C(=O)NC3CCCN(C4CCNCC4)C3)nc12
|
C19H26N6O2 370.457000 |
JWWXOTFGEKOSHE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248804; PubChem:CID137647016
|
Local ready
Direct docking supported
|
|
E3L049844
BDB049844
|
BDBM50248805
CCN1CCC(NC(=O)c2nc3c(C(N)=O)cccc3[nH]2)CC1
|
C16H21N5O2 315.377000 |
CTOIQYANQUWDMY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248805; PubChem:CID137641323
|
Local ready
Direct docking supported
|
|
E3L049845
BDB049845
|
BDBM50248806
CC(C)N1CCC(NC(=O)c2nc3c(C(N)=O)cccc3[nH]2)CC1
|
C17H23N5O2 329.404000 |
SBFXCWJBMUZDMV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248806; PubChem:CID137637737
|
Local ready
Direct docking supported
|
|
E3L049846
BDB049846
|
Cc-401
c1cc(OCCN2CCCCC2)cc(-c2n[nH]c3ccc(-c4nnc[nH]4)cc23)c1
|
C22H24N6O 388.475000 |
XDJCLCLBSGGNKS-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50248942; PubChem:CID10430360
|
Local ready
Direct docking supported
|
|
E3L049847
BDB049847
|
Methyl 2-oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylate
COC(=O)c1ccc2[nH]c(=O)oc2c1
|
C9H7NO4 193.158000 |
FUJBKRLYHYJMNF-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50249042; PubChem:CID12564532
|
Local ready
Direct docking supported
|
|
E3L049848
BDB049848
|
4-bromo-N-methyl-1H-pyrrole-2-carboxamide
CNC(=O)c1cc(Br)c[nH]1
|
C6H7BrN2O 203.039000 |
HQGRBJIXXLIGLE-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50249043; PubChem:CID2766364
|
Local ready
Direct docking supported
|
|
E3L049849
BDB049849
|
BDBM50249210
Cc1cc(Nc2nn(CC(F)(F)F)c(=O)c3ccccc23)[nH]n1
|
C14H12F3N5O 323.278000 |
ZKNCQUCCUXIJKY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50249210; PubChem:CID11551547
|
Local ready
Direct docking supported
|
|
E3L049850
BDB049850
|
BDBM50249237
Cc1cc(Nc2nn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)[nH]n1
|
C18H14ClN5O 351.797000 |
DFYXAPVQNGLJHI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50249237; PubChem:CID11617275
|
Local ready
Direct docking supported
|
|
E3L049851
BDB049851
|
BDBM50249335
CCc1ccc(Cn2cc(/C=C3\SC(=O)NC3=O)c3ccccc32)cc1
|
C21H18N2O2S 362.454000 |
MYKFZJGEVOKMED-ODLFYWEKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50249335; PubChem:CID137636259
|
Local ready
Direct docking supported
|
|
E3L049852
BDB049852
|
BDBM50249336
O=C1NC(=O)/C(=C/c2c[nH]c3ccccc23)S1
|
C12H8N2O2S 244.275000 |
YRPCEGFPKMQCHL-YHYXMXQVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50249336
|
Local ready
Direct docking supported
|
|
E3L049853
BDB049853
|
BDBM50249337
CC(C)c1ccc(Cn2cc(/C=C3\SC(=O)NC3=O)c3ccccc32)cc1
|
C22H20N2O2S 376.481000 |
QGPCXXWJJVJEAW-JAIQZWGSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50249337; PubChem:CID137661866
|
Local ready
Direct docking supported
|
|
E3L049854
BDB049854
|
BDBM50249338
Cc1ccc(Cn2cc(/C=C3\SC(=O)NC3=O)c3ccccc32)cc1
|
C20H16N2O2S 348.427000 |
SRYRRIBIHICDKY-ZDLGFXPLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50249338; PubChem:CID49891329
|
Local ready
Direct docking supported
|
|
E3L049855
BDB049855
|
BDBM50249339
O=C1NC(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)S1
|
C19H13FN2O2S 352.390000 |
GFSPDDYTMIXVMJ-MFOYZWKCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50249339; PubChem:CID18973402
|
Local ready
Direct docking supported
|
|
E3L049856
BDB049856
|
BDBM50249350
O=C1NC(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)S1
|
C19H12Cl2N2O2S 403.290000 |
SCCLOMOYGBUCPF-IDUWFGFVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50249350; PubChem:CID49890340
|
Local ready
Direct docking supported
|
|
E3L049857
BDB049857
|
BDBM50249368
O=C1NC(=O)/C(=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)S1
|
C19H13ClN2O2S 368.845000 |
FCBZQKHOWFGNEX-MFOYZWKCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50249368; PubChem:CID49891173
|
Local ready
Direct docking supported
|
|
E3L049858
BDB049858
|
BDBM50249369
O=C1NC(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)S1
|
C19H13ClN2O2S 368.845000 |
NDYJWTSPTOUSRF-MFOYZWKCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50249369; PubChem:CID49890275
|
Local ready
Direct docking supported
|
|
E3L049859
BDB049859
|
BDBM50249370
O=C1NC(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)S1
|
C19H14N2O2S 334.400000 |
FSHJJYQZCGYBSK-YVLHZVERSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50249370; PubChem:CID18973266
|
Local ready
Direct docking supported
|
|
E3L049860
BDB049860
|
BDBM50249371
CC(C)(C)c1ccc(Cn2cc(/C=C3\SC(=O)NC3=O)c3ccccc32)cc1
|
C23H22N2O2S 390.508000 |
HAWKNDGUADSETE-NDENLUEZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50249371; PubChem:CID137651361
|
Local ready
Direct docking supported
|