| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L018601
BDB018601
|
BDBM438016
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3cccs3)n21
|
C26H21FN6O2S 500.559000 |
GQWOBBJCRJSEDD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438016; PubChem:CID140912409
|
Local ready
Direct docking supported
|
|
E3L018602
BDB018602
|
BDBM438018
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3c[nH]cn3)n21
|
C25H21FN8O2 484.495000 |
WCCZKRJEHHEQLR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438018; PubChem:CID140912431
|
Local ready
Direct docking supported
|
|
E3L018603
BDB018603
|
BDBM438019
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3ncc[nH]3)n21
|
C25H21FN8O2 484.495000 |
IIHNIPMYEGRKDY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438019; PubChem:CID140912461
|
Local ready
Direct docking supported
|
|
E3L018604
BDB018604
|
BDBM438020
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3nccn3C)n21
|
C26H23FN8O2 498.522000 |
NEPACRZSUVBRFF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438020; PubChem:CID140912419
|
Local ready
Direct docking supported
|
|
E3L018605
BDB018605
|
BDBM438034
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3cncs3)n21
|
C25H20FN7O2S 501.547000 |
KJEIQKFRKQIMJB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438034; PubChem:CID140912465
|
Local ready
Direct docking supported
|
|
E3L018606
BDB018606
|
BDBM438037
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3ccsc3)n21
|
C26H21FN6O2S 500.559000 |
NBXWCYBYNYNOPL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438037; PubChem:CID140912454
|
Local ready
Direct docking supported
|
|
E3L018607
BDB018607
|
BDBM438048
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3ccccn3)n21
|
C27H22FN7O2 495.518000 |
LRCINOGPJFNNCP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438048; PubChem:CID140912472
|
Local ready
Direct docking supported
|
|
E3L018608
BDB018608
|
BDBM438049
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3cnn(C)c3)n21
|
C26H23FN8O2 498.522000 |
QDMWHDVENDJKEQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438049; PubChem:CID140912455
|
Local ready
Direct docking supported
|
|
E3L018609
BDB018609
|
Thioparib
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3nccs3)n21
|
C25H20FN7O2S 501.547000 |
ACJDTAHNIFCCHB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438050; PubChem:CID140912420
|
Local ready
Direct docking supported
|
|
E3L018610
BDB018610
|
BDBM438051
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3ccco3)n21
|
C26H21FN6O3 484.491000 |
HJAYVDWEOUXOAX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438051; PubChem:CID140912423
|
Local ready
Direct docking supported
|
|
E3L018611
BDB018611
|
BDBM438054
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(C3COC(C)(C)O3)n21
|
C27H27FN6O4 518.549000 |
LWESULBNIZPVGE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438054; PubChem:CID140912421
|
Local ready
Direct docking supported
|
|
E3L018612
BDB018612
|
BDBM438055
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3ccc(CO)o3)n21
|
C27H23FN6O4 514.517000 |
UGYBVYRBIPTORK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438055; PubChem:CID140912432
|
Local ready
Direct docking supported
|
|
E3L018613
BDB018613
|
BDBM438061
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(I)n21
|
C22H18FIN6O2 544.328000 |
CAEOFYSLBJOECH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438061; PubChem:CID140912434
|
Local ready
Direct docking supported
|
|
E3L018614
BDB018614
|
BDBM438064
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3cnccn3)n21
|
C26H21FN8O2 496.506000 |
KVOXWMFXBCHCHF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438064; PubChem:CID140912407
|
Local ready
Direct docking supported
|
|
E3L018615
BDB018615
|
BDBM438070
COc1cc(-c2nnc3n2C(C)CN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)cc(OC)c1OC
|
C31H29FN6O5 584.608000 |
ZUZRLXCYZQIIMX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438070; PubChem:CID140912447
|
Local ready
Direct docking supported
|
|
E3L018616
BDB018616
|
BDBM438087
CC1CN(C(=O)c2cc(Cc3ccc(=O)[nH]n3)ccc2F)Cc2nnc(-c3nccs3)n21
|
C21H18FN7O2S 451.487000 |
RLJDGEOWPWBXED-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438087; PubChem:CID140912430
|
Local ready
Direct docking supported
|
|
E3L018617
BDB018617
|
BDBM438088
CC1CN(C(=O)c2cc(Cc3ccc(=O)[nH]n3)ccc2F)Cc2nnc(-c3ccccn3)n21
|
C23H20FN7O2 445.458000 |
XSFSSKNUUFPNJB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438088; PubChem:CID140912404
|
Local ready
Direct docking supported
|
|
E3L018618
BDB018618
|
BDBM438092
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3ncc(Cl)s3)n21
|
C25H19ClFN7O2S 535.992000 |
LFIPTCYWWMLWJN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438092; PubChem:CID140912456
|
Local ready
Direct docking supported
|
|
E3L018619
BDB018619
|
BDBM438093
CCOC(=O)c1nnc2n1C(C)CN(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)C2
|
C25H23FN6O4 490.495000 |
ONODGAHKZUZDEZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438093; PubChem:CID140912470
|
Local ready
Direct docking supported
|
|
E3L018620
BDB018620
|
BDBM438094
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(C(=O)O)n21
|
C23H19FN6O4 462.441000 |
CVOIFYOKVHACMT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438094; PubChem:CID140912405
|
Local ready
Direct docking supported
|