| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056901
BDB056901
|
BDBM50455169
COc1c(Br)cc(Br)cc1/C=C/c1nnc(-c2cccc3c(=O)c4ccccc4c(=O)[nH]c23)o1
|
C25H15Br2N3O4 581.220000 |
BXXABCKKFWWRMB-MDZDMXLPSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50455169; PubChem:CID145964207
|
Local ready
Direct docking supported
|
|
E3L056902
BDB056902
|
BDBM50455170
Cc1cc(-c2nnc(-c3ccccc3Cl)o2)c2[nH]c(=O)c3ccccc3c(=O)c2c1
|
C23H14ClN3O3 415.836000 |
AJWAOBCMZAJGON-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50455170; PubChem:CID145965630
|
Local ready
Direct docking supported
|
|
E3L056903
BDB056903
|
BDBM50455171
COc1ccc(F)cc1/C=C/c1nnc(-c2cccc3c(=O)c4ccccc4c(=O)[nH]c23)o1
|
C25H16FN3O4 441.418000 |
UZLWDVBJBIDOJC-FMIVXFBMSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50455171; PubChem:CID145965137
|
Local ready
Direct docking supported
|
|
E3L056904
BDB056904
|
BDBM50455172
COc1ccc(Cl)cc1/C=C/c1nnc(-c2cccc3c(=O)c4ccccc4c(=O)[nH]c23)o1
|
C25H16ClN3O4 457.873000 |
JXVSBWYJJQQJSN-FMIVXFBMSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50455172; PubChem:CID145967058
|
Local ready
Direct docking supported
|
|
E3L056905
BDB056905
|
BDBM50455173
Cc1cc(-c2nnc(-c3ccccc3)o2)c2[nH]c(=O)c3ccccc3c(=O)c2c1
|
C23H15N3O3 381.391000 |
PZOIRRROQSKMRY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50455173; PubChem:CID145978449
|
Local ready
Direct docking supported
|
|
E3L056906
BDB056906
|
BDBM50455174
Cc1cc(-c2nnc(/C=C/c3ccccc3)o2)c2[nH]c(=O)c3ccccc3c(=O)c2c1
|
C25H17N3O3 407.429000 |
IJCYPXHGDRMRNF-VAWYXSNFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50455174; PubChem:CID145973023
|
Local ready
Direct docking supported
|
|
E3L056907
BDB056907
|
BDBM50455175
COc1ccc(F)cc1/C=C/c1nnc(-c2cc(C)cc3c(=O)c4ccccc4c(=O)[nH]c23)o1
|
C26H18FN3O4 455.445000 |
TZRFYTZEHIRBAC-JXMROGBWSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50455175; PubChem:CID145975136
|
Local ready
Direct docking supported
|
|
E3L056908
BDB056908
|
BDBM50455176
COc1ccc(Cl)cc1/C=C/c1nnc(-c2cc(C)cc3c(=O)c4ccccc4c(=O)[nH]c23)o1
|
C26H18ClN3O4 471.900000 |
NNDMFDAUSJFLJU-JXMROGBWSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50455176; PubChem:CID145964303
|
Local ready
Direct docking supported
|
|
E3L056909
BDB056909
|
BDBM50455177
O=c1[nH]c2c(-c3nnc(-c4ccccc4Cl)o3)cccc2c(=O)c2ccccc12
|
C22H12ClN3O3 401.809000 |
FQYQUHNYUCDMRI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50455177; PubChem:CID145964279
|
Local ready
Direct docking supported
|
|
E3L056910
BDB056910
|
BDBM50455178
O=c1[nH]c2c(-c3nnc(COc4ccccc4)o3)cccc2c(=O)c2ccccc12
|
C23H15N3O4 397.390000 |
JWKSMFBIQBWNKQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50455178; PubChem:CID145973889
|
Local ready
Direct docking supported
|
|
E3L056911
BDB056911
|
BDBM50455179
O=C(NCc1nnc(-c2cccc3c(=O)c4ccccc4c(=O)[nH]c23)o1)c1ccccc1
|
C24H16N4O4 424.416000 |
HSRULIAYLLLOED-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50455179; PubChem:CID145978567
|
Local ready
Direct docking supported
|
|
E3L056912
BDB056912
|
BDBM50455180
O=c1[nH]c2c(-c3nnc(/C=C/c4ccccc4)o3)cccc2c(=O)c2ccccc12
|
C24H15N3O3 393.402000 |
CJSIXNYDSYGXRG-BUHFOSPRSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50455180; PubChem:CID145966106
|
Local ready
Direct docking supported
|
|
E3L056913
BDB056913
|
BDBM50455181
COc1ccccc1/C=C/c1nnc(-c2cccc3c(=O)c4ccccc4c(=O)[nH]c23)o1
|
C25H17N3O4 423.428000 |
KWJXIXPPCVWSSC-BUHFOSPRSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50455181; PubChem:CID145976829
|
Local ready
Direct docking supported
|
|
E3L056914
BDB056914
|
BDBM50455182
Cc1cc(-c2nnc(CNC(=O)c3ccccc3)o2)c2[nH]c(=O)c3ccccc3c(=O)c2c1
|
C25H18N4O4 438.443000 |
YLBHZDNSEIZEBR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50455182; PubChem:CID145972326
|
Local ready
Direct docking supported
|
|
E3L056915
BDB056915
|
BDBM50455183
O=C(NCc1nnc(-c2cccc3c(=O)c4ccccc4c(=O)[nH]c23)o1)c1ccccc1Cl
|
C24H15ClN4O4 458.861000 |
XIDHEUAVKBYSNW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50455183; PubChem:CID145965021
|
Local ready
Direct docking supported
|
|
E3L056916
BDB056916
|
BDBM50455184
COc1ccc(Br)cc1/C=C/c1nnc(-c2cccc3c(=O)c4ccccc4c(=O)[nH]c23)o1
|
C25H16BrN3O4 502.324000 |
MXPOAMZRHGVYIO-FMIVXFBMSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50455184; PubChem:CID145973444
|
Local ready
Direct docking supported
|
|
E3L056917
BDB056917
|
BDBM50455185
COc1c(Br)cc(Br)cc1/C=C/c1nnc(-c2cc(C)cc3c(=O)c4ccccc4c(=O)[nH]c23)o1
|
C26H17Br2N3O4 595.247000 |
HMUULNNCICHVSC-BQYQJAHWSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50455185; PubChem:CID145970486
|
Local ready
Direct docking supported
|
|
E3L056918
BDB056918
|
BDBM50455345
CNc1ncc2c(-c3ccc(N4CCNCC4)nc3)nn(CC3OCCO3)c2n1
|
C19H24N8O2 396.455000 |
GFFVAKKFWQHFLB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50455345; PubChem:CID145972979
|
Local ready
Direct docking supported
|
|
E3L056919
BDB056919
|
BDBM50455346
CNc1ncc2c(-c3ccc(N4CCN(C)CC4)cc3)nn(CC3CCCC3)c2n1
|
C23H31N7 405.550000 |
AKWLDQDWZNJYKL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50455346; PubChem:CID145969155
|
Local ready
Direct docking supported
|
|
E3L056920
BDB056920
|
BDBM50455347
CCN1CCN(c2ccc(-c3nn(Cc4cn(Cc5ccccc5)nn4)c4nc(NC)ncc34)cn2)CC1
|
C27H31N11 509.622000 |
PAZDHXLZWBCXCX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50455347; PubChem:CID145974023
|
Local ready
Direct docking supported
|