| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L057161
BDB057161
|
BDBM50464911
Cc1cc(C(N)=O)c2nc(-c3cc4c(s3)CNCC4)[nH]c2c1
|
C16H16N4OS 312.398000 |
RMTXPZAKIDWSDV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50464911; PubChem:CID141466120
|
Local ready
Direct docking supported
|
|
E3L057162
BDB057162
|
BDBM50464912
CC(C)CC1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4n3C)sc21
|
C20H23FN4OS 386.496000 |
YMBFFLHVYTXNDP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50464912; PubChem:CID141466124
|
Local ready
Direct docking supported
|
|
E3L057163
BDB057163
|
BDBM50464913
NC(=O)c1cc(F)cc2[nH]c(-c3cc4c(s3)CCNC4)nc12
|
C15H13FN4OS 316.361000 |
RVBDGUXYQPDTTD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50464913; PubChem:CID137348704
|
Local ready
Direct docking supported
|
|
E3L057164
BDB057164
|
BDBM50464914
CN1CCc2cc(-c3nc4c(C(N)=O)cccc4[nH]3)sc2C1
|
C16H16N4OS 312.398000 |
QYFRQINXIBOIOI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50464914; PubChem:CID141466171
|
Local ready
Direct docking supported
|
|
E3L057165
BDB057165
|
BDBM50464915
Cn1c(-c2cc3c(s2)C(C(C)(C)C)NCC3)nc2c(C(N)=O)cc(F)cc21
|
C20H23FN4OS 386.496000 |
CBUXQQBZBZGKII-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50464915; PubChem:CID141466137
|
Local ready
Direct docking supported
|
|
E3L057166
BDB057166
|
BDBM50464916
NC(=O)c1cc(F)cc2[nH]c(-c3cc4c(s3)CNCC4)nc12
|
C15H13FN4OS 316.361000 |
DAIMOGAYMHVUBZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50464916; PubChem:CID137348705
|
Local ready
Direct docking supported
|
|
E3L057167
BDB057167
|
BDBM50464917
CC(C)(C)C1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)sc21
|
C19H21FN4OS 372.469000 |
VRLLUDPWEDVARZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50464917; PubChem:CID141466159
|
Local ready
Direct docking supported
|
|
E3L057168
BDB057168
|
BDBM50464918
NC(=O)c1cc(F)cc2[nH]c(-c3cc4c(s3)C(C3CC3)NCC4)nc12
|
C18H17FN4OS 356.426000 |
OWOZSIHFAFXWTN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50464918; PubChem:CID141466151
|
Local ready
Direct docking supported
|
|
E3L057169
BDB057169
|
BDBM50464919
CCCCC1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)sc21
|
C19H21FN4OS 372.469000 |
SNKAWMAERQERAY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50464919; PubChem:CID141466125
|
Local ready
Direct docking supported
|
|
E3L057170
BDB057170
|
BDBM50464920
CCCC1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)sc21
|
C18H19FN4OS 358.442000 |
HNVGNPZHTCPRJL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50464920; PubChem:CID141466229
|
Local ready
Direct docking supported
|
|
E3L057171
BDB057171
|
BDBM50464921
CN1CCc2sc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)cc2C1
|
C16H15FN4OS 330.388000 |
HTBJXITVMAAPGH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50464921; PubChem:CID141466238
|
Local ready
Direct docking supported
|
|
E3L057172
BDB057172
|
BDBM50464922
NC(=O)c1cc(Cl)cc2[nH]c(-c3cc4c(s3)CNCC4)nc12
|
C15H13ClN4OS 332.816000 |
QFKIZAYSXMBONY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50464922; PubChem:CID141466219
|
Local ready
Direct docking supported
|
|
E3L057173
BDB057173
|
BDBM50464923
CCN1CCc2sc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2C1
|
C17H18N4OS 326.425000 |
BSJKOBUSZMTFLW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50464923; PubChem:CID141466233
|
Local ready
Direct docking supported
|
|
E3L057174
BDB057174
|
BDBM50464924
CN1CCc2sc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2C1
|
C16H16N4OS 312.398000 |
ZTCIUICUZCKHHL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50464924; PubChem:CID141466203
|
Local ready
Direct docking supported
|
|
E3L057175
BDB057175
|
BDBM50464925
NC(=O)c1cccc2[nH]c(-c3cc4c(s3)CCNC4)nc12
|
C15H14N4OS 298.371000 |
NKJYUBWSGJMPAJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50464925; PubChem:CID141466122
|
Local ready
Direct docking supported
|
|
E3L057176
BDB057176
|
BDBM50464926
NC(=O)c1cc(F)cc2[nH]c(-c3cc4c(o3)CNCC4)nc12
|
C15H13FN4O2 300.293000 |
BLVQSAHMDXWBNC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50464926; PubChem:CID133053541
|
Local ready
Direct docking supported
|
|
E3L057177
BDB057177
|
BDBM50464927
CC(C)C1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)sc21
|
C18H19FN4OS 358.442000 |
MJCWPISTEYQNBA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50464927; PubChem:CID141466206
|
Local ready
Direct docking supported
|
|
E3L057178
BDB057178
|
BDBM50464928
Cc1c(-c2nc3c(C(N)=O)cc(F)cc3[nH]2)sc2c1CCNC2
|
C16H15FN4OS 330.388000 |
JDXLMISSSMZOIL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50464928; PubChem:CID141466149
|
Local ready
Direct docking supported
|
|
E3L057179
BDB057179
|
BDBM50464929
Cn1c(-c2cc3c(s2)CNCC3)nc2c(C(N)=O)cc(F)cc21
|
C16H15FN4OS 330.388000 |
MHEGXLWYODUJMQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50464929; PubChem:CID141466177
|
Local ready
Direct docking supported
|
|
E3L057180
BDB057180
|
BDBM50464930
NC(=O)c1cc(F)cc2[nH]c(C3=NC4CCNCC4S3)nc12
|
C14H14FN5OS 319.365000 |
KQRUVCRIBJGRNK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50464930; PubChem:CID145991734
|
Local ready
Direct docking supported
|