| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008861
BDB008861
|
BDBM213922
O=C(c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)N1CCN(c2ccccc2F)CC1
|
C26H27FN4O2 446.526000 |
IKWOALHBRXRBEE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213922; PubChem:CID59830102
|
Local ready
Direct docking supported
|
|
E3L008862
BDB008862
|
BDBM213923
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(c2ccccc2F)CC1
|
C26H26F2N4O2 464.516000 |
AUVSAIHKLBVLSM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213923; PubChem:CID59830119
|
Local ready
Direct docking supported
|
|
E3L008863
BDB008863
|
BDBM213924
O=C(c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)N1CCN(c2ccc(F)cc2)CC1
|
C26H27FN4O2 446.526000 |
UEMNDGOVXHPBJR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213924; PubChem:CID59830127
|
Local ready
Direct docking supported
|
|
E3L008864
BDB008864
|
BDBM213925
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(c2ccc(F)cc2)CC1
|
C26H26F2N4O2 464.516000 |
PTBOYFVVXDOHBL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213925; PubChem:CID59830117
|
Local ready
Direct docking supported
|
|
E3L008865
BDB008865
|
BDBM213926
CN1CCCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)CC1
|
C22H28N4O2 380.492000 |
AFVFKFRWYYPJPK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213926; PubChem:CID59830122
|
Local ready
Direct docking supported
|
|
E3L008866
BDB008866
|
BDBM213927
CN1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C22H27FN4O2 398.482000 |
BNTKGNCTNJPAHJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213927; PubChem:CID59830116
|
Local ready
Direct docking supported
|
|
E3L008867
BDB008867
|
BDBM213928
NC(=O)C1CCCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)C1
|
C22H26N4O3 394.475000 |
WFGZFCNZBXINKC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213928; PubChem:CID59830126
|
Local ready
Direct docking supported
|
|
E3L008868
BDB008868
|
BDBM213929
NC(=O)C1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)C1
|
C22H25FN4O3 412.465000 |
NWOSRTBTIGNLCQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213929; PubChem:CID59830118
|
Local ready
Direct docking supported
|
|
E3L008869
BDB008869
|
BDBM213930
O=C(c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)N1CCC(O)CC1
|
C21H25N3O3 367.449000 |
PBMGJWZPFJVCRY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213930; PubChem:CID59830110
|
Local ready
Direct docking supported
|
|
E3L008870
BDB008870
|
BDBM213931
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCC(O)CC1
|
C21H24FN3O3 385.439000 |
VJUQVVBYEKXDDT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213931; PubChem:CID59830103
|
Local ready
Direct docking supported
|
|
E3L008871
BDB008871
|
BDBM213932
NC(=O)C1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)CC1
|
C22H26N4O3 394.475000 |
FGUOLSFUJVFYHV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213932; PubChem:CID59830105
|
Local ready
Direct docking supported
|
|
E3L008872
BDB008872
|
BDBM213933
NC(=O)C1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C22H25FN4O3 412.465000 |
AMVVXGQXJQVYMO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213933; PubChem:CID59830114
|
Local ready
Direct docking supported
|
|
E3L008873
BDB008873
|
BDBM213934
CCN(CC)C(=O)C1CCCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)C1
|
C26H34N4O3 450.583000 |
REPVKMHWSZFQLQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213934; PubChem:CID59830115
|
Local ready
Direct docking supported
|
|
E3L008874
BDB008874
|
BDBM213935
CCN(CC)C(=O)C1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)C1
|
C26H33FN4O3 468.573000 |
JKGIHNKPTSAXOU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213935; PubChem:CID59830124
|
Local ready
Direct docking supported
|
|
E3L008875
BDB008875
|
BDBM213936
CN(C)CCN(C)C(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C21H28N4O2 368.481000 |
SSYZRIIHNMILKB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213936; PubChem:CID59830121
|
Local ready
Direct docking supported
|
|
E3L008876
BDB008876
|
BDBM213937
CN(C)CCN(C)C(=O)c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C21H27FN4O2 386.471000 |
VCUQZGMKGHRZJY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213937; PubChem:CID59830108
|
Local ready
Direct docking supported
|
|
E3L008877
BDB008877
|
BDBM213938
CN1CCN(CCNC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)CC1
|
C23H31N5O2 409.534000 |
AINHCQNCUZUTLW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213938; PubChem:CID59830111
|
Local ready
Direct docking supported
|
|
E3L008878
BDB008878
|
BDBM213939
CN1CCN(CCNC(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C23H30FN5O2 427.524000 |
QPHNLWQOAFXURG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213939; PubChem:CID59830106
|
Local ready
Direct docking supported
|
|
E3L008879
BDB008879
|
BDBM213940
O=C(O)c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C16H15FN2O3 302.305000 |
GANAAPUWKMQPJU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213940; PubChem:CID25005019
|
Local ready
Direct docking supported
|
|
E3L008880
BDB008880
|
BDBM213941
Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C15H16FN3O 273.311000 |
WXACUVGKHBIUMB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213941; PubChem:CID25005020
|
Local ready
Direct docking supported
|