| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L014061
BDB014061
|
BDBM318017
CCC(c1ncccn1)N1CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1
|
C19H27N7O 369.473000 |
MMVLLPFESXFQML-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM318017
|
Local ready
Direct docking supported
|
|
E3L014062
BDB014062
|
BDBM318019
COc1ccnc(CN2CCN(c3nc4c(c(=O)[nH]3)CCCN4C)CC2)n1
|
C18H25N7O2 371.445000 |
KCPHCJUACXXHDI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318019; PubChem:CID136954024
|
Local ready
Direct docking supported
|
|
E3L014063
BDB014063
|
BDBM318020
Cc1ccnc(CN2CCN(c3nc4c(c(=O)[nH]3)CCCN4C)CC2)n1
|
C18H25N7O 355.446000 |
IGKALBMMBUOLAY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318020; PubChem:CID136987029
|
Local ready
Direct docking supported
|
|
E3L014064
BDB014064
|
BDBM318021
CN1CCCc2c1nc(N1CCN(Cc3ncc(C(F)(F)F)cn3)CC1)[nH]c2=O
|
C18H22F3N7O 409.416000 |
DTOVAHAAYGWZJC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318021; PubChem:CID136987031
|
Local ready
Direct docking supported
|
|
E3L014065
BDB014065
|
BDBM318022
CN1CCCc2c1nc(N1CCN(Cc3nccc(C(F)(F)F)n3)CC1)[nH]c2=O
|
C18H22F3N7O 409.416000 |
FDWCAGLPVGJZGX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318022; PubChem:CID136987026
|
Local ready
Direct docking supported
|
|
E3L014066
BDB014066
|
BDBM318023
Cc1cnc(CN2CCN(c3nc4c(c(=O)[nH]3)CCCN4C)CC2)nc1
|
C18H25N7O 355.446000 |
RFQQBDRYILMLKX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318023; PubChem:CID136987028
|
Local ready
Direct docking supported
|
|
E3L014067
BDB014067
|
BDBM318024
CN1CCCc2c1nc(N1CCN(Cc3ncc(Cl)cn3)CC1)[nH]c2=O
|
C17H22ClN7O 375.864000 |
DIOUPOWEQMDVIF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318024; PubChem:CID136987032
|
Local ready
Direct docking supported
|
|
E3L014068
BDB014068
|
BDBM318025
CN1CCCc2c1nc(N1CCN(Cc3ccccn3)CC1)[nH]c2=O
|
C18H24N6O 340.431000 |
DBBRJAYFAWANIO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318025; PubChem:CID136987025
|
Local ready
Direct docking supported
|
|
E3L014069
BDB014069
|
BDBM318026
CN1CCCc2c1nc(N1CCN(Cc3ncccc3F)CC1)[nH]c2=O
|
C18H23FN6O 358.421000 |
MXRLSJYSHPXDBN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318026; PubChem:CID136953982
|
Local ready
Direct docking supported
|
|
E3L014070
BDB014070
|
BDBM318028
COc1ccccc1CN1CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1
|
C20H27N5O2 369.469000 |
CLMCMCIANXSSCI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318028; PubChem:CID136987040
|
Local ready
Direct docking supported
|
|
E3L014071
BDB014071
|
BDBM318029
CN1CCCc2c1nc(N1CCN(Cc3ccccc3F)CC1)[nH]c2=O
|
C19H24FN5O 357.433000 |
HWHBVIKIVWUCPS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318029; PubChem:CID136987043
|
Local ready
Direct docking supported
|
|
E3L014072
BDB014072
|
BDBM318030
Cc1ccccc1CN1CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1
|
C20H27N5O 353.470000 |
WZAAURATTBNWBC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318030; PubChem:CID136987027
|
Local ready
Direct docking supported
|
|
E3L014073
BDB014073
|
BDBM318031
Cc1cccnc1CN1CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1
|
C19H26N6O 354.458000 |
YNLLVSRMOMOZDP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318031; PubChem:CID136987030
|
Local ready
Direct docking supported
|
|
E3L014074
BDB014074
|
BDBM318032
COc1cccnc1CN1CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1
|
C19H26N6O2 370.457000 |
SSDOGFZFEYCRRH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318032; PubChem:CID136987033
|
Local ready
Direct docking supported
|
|
E3L014075
BDB014075
|
BDBM318034
CN1CCCc2c1nc(N1CCN(Cc3ccccc3C(F)(F)F)CC1)[nH]c2=O
|
C20H24F3N5O 407.440000 |
VLKQIEMXMFAOES-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318034; PubChem:CID136987034
|
Local ready
Direct docking supported
|
|
E3L014076
BDB014076
|
BDBM318036
CN1CCCc2c1nc(N1CCN(Cc3ccccc3C#N)CC1)[nH]c2=O
|
C20H24N6O 364.453000 |
MFVKIQGUHZYYOF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318036; PubChem:CID136987044
|
Local ready
Direct docking supported
|
|
E3L014077
BDB014077
|
BDBM318037
CN1CCCc2c1nc(N1CCN(Cc3ccccc3Cl)CC1)[nH]c2=O
|
C19H24ClN5O 373.888000 |
CGRPSBDSLCXTLM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM318037
|
Local ready
Direct docking supported
|
|
E3L014078
BDB014078
|
BDBM318038
CN1CCCc2c1nc(N1CCN(Cc3ncc(F)cn3)CC1)[nH]c2=O
|
C17H22FN7O 359.409000 |
WTVLTJMRTHFMJP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318038; PubChem:CID136954088
|
Local ready
Direct docking supported
|
|
E3L014079
BDB014079
|
BDBM318039
CN1CCCc2c1nc(N1CCN(Cc3ncccc3C#N)CC1)[nH]c2=O
|
C19H23N7O 365.441000 |
FXPQKIUFVMHDMQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318039; PubChem:CID136954003
|
Local ready
Direct docking supported
|
|
E3L014080
BDB014080
|
BDBM318040
CN1CCCc2c1nc(N1CCN(Cc3nccc(Cl)n3)CC1)[nH]c2=O
|
C17H22ClN7O 375.864000 |
HRUWZYLXSAQFEL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318040; PubChem:CID136953974
|
Local ready
Direct docking supported
|