| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L020921
BDB020921
|
BDBM503567
CC1(NC(=O)c2ccc(N3CCN(C(=O)CCc4nc(=O)c5ccccc5[nH]4)CC3)c(Cl)c2)COC1
|
C26H28ClN5O4 509.994000 |
ZCIIMLCERLVDFV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503567; PubChem:CID137289688
|
Local ready
Direct docking supported
|
|
E3L020922
BDB020922
|
BDBM503568
O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCC(c2ccccc2)CC1
|
C22H23N3O2 361.445000 |
XCUUNLNPBQPUDR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503568; PubChem:CID136187994
|
Local ready
Direct docking supported
|
|
E3L020923
BDB020923
|
BDBM503569
O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccccc2)CC1
|
C21H22N4O2 362.433000 |
LISWQUFNSQCWKI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503569; PubChem:CID135522607
|
Local ready
Direct docking supported
|
|
E3L020924
BDB020924
|
BDBM503570
O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccccc2Cl)CC1
|
C21H21ClN4O2 396.878000 |
JCPUZLQBRRUUJP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503570; PubChem:CID135494901
|
Local ready
Direct docking supported
|
|
E3L020925
BDB020925
|
BDBM503571
N#Cc1ccc(N2CCN(C(=O)CCc3nc4ccccc4c(=O)[nH]3)CC2)nc1
|
C21H20N6O2 388.431000 |
NVYAWMBGKKEULL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503571; PubChem:CID137289725
|
Local ready
Direct docking supported
|
|
E3L020926
BDB020926
|
BDBM503572
NC(=O)c1ccc(N2CCN(C(=O)CCc3nc4ccccc4c(=O)[nH]3)CC2)nc1
|
C21H22N6O3 406.446000 |
GOKAGXRRSZYYST-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM503572
|
Local ready
Direct docking supported
|
|
E3L020927
BDB020927
|
BDBM503573
Cc1cccc2nc(CCC(=O)N3CCN(c4ccc(C#N)cn4)CC3)[nH]c(=O)c12
|
C22H22N6O2 402.458000 |
HTGGPBRXVVOEMG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503573; PubChem:CID137289682
|
Local ready
Direct docking supported
|
|
E3L020928
BDB020928
|
BDBM503574
Cc1ccc2nc(CCC(=O)N3CCN(c4ccc(C#N)cn4)CC3)[nH]c(=O)c2c1
|
C22H22N6O2 402.458000 |
QKAXQQFCSGLNEI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503574; PubChem:CID137289700
|
Local ready
Direct docking supported
|
|
E3L020929
BDB020929
|
BDBM503575
Cc1ccc2c(=O)[nH]c(CCC(=O)N3CCN(c4ccc(C#N)cn4)CC3)nc2c1
|
C22H22N6O2 402.458000 |
ICZVYYLYOGLKDU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503575; PubChem:CID137289655
|
Local ready
Direct docking supported
|
|
E3L020930
BDB020930
|
BDBM503576
Cc1cccc2c(=O)[nH]c(CCC(=O)N3CCN(c4ccc(C#N)cn4)CC3)nc12
|
C22H22N6O2 402.458000 |
BSHNSNFEEYZSMQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503576; PubChem:CID137289706
|
Local ready
Direct docking supported
|
|
E3L020931
BDB020931
|
BDBM503577
N#Cc1ccc(N2CCN(C(=O)CCc3nc4cccc(F)c4c(=O)[nH]3)CC2)nc1
|
C21H19FN6O2 406.421000 |
MZAAUJMUTYAMFB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM503577
|
Local ready
Direct docking supported
|
|
E3L020932
BDB020932
|
BDBM503578
N#Cc1ccc(N2CCN(C(=O)CCc3nc4ccc(F)cc4c(=O)[nH]3)CC2)nc1
|
C21H19FN6O2 406.421000 |
ZXSZFRRHHIPVGQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM503578
|
Local ready
Direct docking supported
|
|
E3L020933
BDB020933
|
BDBM503579
N#Cc1ccc(N2CCN(C(=O)CCc3nc4cc(F)ccc4c(=O)[nH]3)CC2)nc1
|
C21H19FN6O2 406.421000 |
DDTJENLBLOWEGH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503579; PubChem:CID137289718
|
Local ready
Direct docking supported
|
|
E3L020934
BDB020934
|
BDBM503580
N#Cc1ccc(N2CCN(C(=O)CCc3nc4c(F)cccc4c(=O)[nH]3)CC2)nc1
|
C21H19FN6O2 406.421000 |
LUFWYCGSPPJLFO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503580; PubChem:CID137289690
|
Local ready
Direct docking supported
|
|
E3L020935
BDB020935
|
BDBM503581
N#Cc1ccc(N2CCN(C(=O)CCc3nc4cccnc4c(=O)[nH]3)CC2)nc1
|
C20H19N7O2 389.419000 |
RBYGYVBTTAHLOO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503581; PubChem:CID137289648
|
Local ready
Direct docking supported
|
|
E3L020936
BDB020936
|
BDBM503582
N#Cc1ccc(N2CCN(C(=O)CCc3nc4cnccc4c(=O)[nH]3)CC2)nc1
|
C20H19N7O2 389.419000 |
YAIHIHFCADRLQX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503582; PubChem:CID137289695
|
Local ready
Direct docking supported
|
|
E3L020937
BDB020937
|
BDBM503583
N#Cc1ccc(N2CCN(C(=O)CCc3nc4sccc4c(=O)[nH]3)CC2)nc1
|
C19H18N6O2S 394.460000 |
BYALKKIMLNTHID-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503583; PubChem:CID135187853
|
Local ready
Direct docking supported
|
|
E3L020938
BDB020938
|
BDBM503584
N#Cc1ccc(N2CCN(C(=O)CCc3nc4ccsc4c(=O)[nH]3)CC2)nc1
|
C19H18N6O2S 394.460000 |
LQMAKVAUZJYFOX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503584; PubChem:CID137289744
|
Local ready
Direct docking supported
|
|
E3L020939
BDB020939
|
BDBM503585
C[C@H]1CN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CCN1c1ccc(C#N)cn1
|
C22H22N6O2 402.458000 |
HFSONELBVRADEG-HNNXBMFYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503585; PubChem:CID137289702
|
Local ready
Direct docking supported
|
|
E3L020940
BDB020940
|
BDBM503586
C[C@@H]1CN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CCN1c1ccc(C#N)cn1
|
C22H22N6O2 402.458000 |
HFSONELBVRADEG-OAHLLOKOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503586; PubChem:CID137289644
|
Local ready
Direct docking supported
|