| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L020941
BDB020941
|
BDBM503587
C[C@@H]1CN(c2ccc(C#N)cn2)CCN1C(=O)CCc1nc2ccccc2c(=O)[nH]1
|
C22H22N6O2 402.458000 |
JHHJWGJMKVRLMC-OAHLLOKOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503587; PubChem:CID137289683
|
Local ready
Direct docking supported
|
|
E3L020942
BDB020942
|
BDBM503588
C[C@H]1CN(c2ccc(C#N)cn2)CCN1C(=O)CCc1nc2ccccc2c(=O)[nH]1
|
C22H22N6O2 402.458000 |
JHHJWGJMKVRLMC-HNNXBMFYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503588; PubChem:CID137289720
|
Local ready
Direct docking supported
|
|
E3L020943
BDB020943
|
BDBM503589
C[C@H]1CN(c2ccc(C#N)cn2)CCN1C(=O)CCc1nc2ccc(F)cc2c(=O)[nH]1
|
C22H21FN6O2 420.448000 |
DRLOBUZZJYWFDE-AWEZNQCLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503589; PubChem:CID137289676
|
Local ready
Direct docking supported
|
|
E3L020944
BDB020944
|
BDBM503590
C[C@H]1CN(c2ccc(C#N)cn2)CCN1C(=O)CCc1nc2cccc(F)c2c(=O)[nH]1
|
C22H21FN6O2 420.448000 |
DUFXFZVTFQWSQI-AWEZNQCLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503590; PubChem:CID137289680
|
Local ready
Direct docking supported
|
|
E3L020945
BDB020945
|
BDBM503591
N#Cc1ccc(N2CCN(C(=O)CCc3nc4ccccc4c(=O)[nH]3)C(CO)C2)nc1
|
C22H22N6O3 418.457000 |
GYNGGIICQNEJEN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503591; PubChem:CID137291092
|
Local ready
Direct docking supported
|
|
E3L020946
BDB020946
|
BDBM503592
N#Cc1ccc(N2CCN(C(=O)CCc3nc4ccc(F)cc4c(=O)[nH]3)C(CO)C2)nc1
|
C22H21FN6O3 436.447000 |
WZPRIAWWLJSXPQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM503592
|
Local ready
Direct docking supported
|
|
E3L020947
BDB020947
|
BDBM503593
N#Cc1ccc(N2CCN(C(=O)CCc3nc4cccc(F)c4c(=O)[nH]3)C(CO)C2)nc1
|
C22H21FN6O3 436.447000 |
OZRHGRUYCHEVCY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM503593
|
Local ready
Direct docking supported
|
|
E3L020948
BDB020948
|
BDBM503594
O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccccn2)CC1
|
C20H21N5O2 363.421000 |
XMVQIAZEHOILGX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503594; PubChem:CID135767689
|
Local ready
Direct docking supported
|
|
E3L020949
BDB020949
|
BDBM503595
Cc1ccc(N2CCN(C(=O)CCc3nc4ccccc4c(=O)[nH]3)CC2)nc1
|
C21H23N5O2 377.448000 |
PEZBFPQLPYDATD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503595; PubChem:CID137289677
|
Local ready
Direct docking supported
|
|
E3L020950
BDB020950
|
BDBM503596
Cc1cccnc1N1CCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1
|
C21H23N5O2 377.448000 |
UNIYLWMXYWIXBT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503596; PubChem:CID137289685
|
Local ready
Direct docking supported
|
|
E3L020951
BDB020951
|
BDBM503597
Cc1cccc(N2CCN(C(=O)CCc3nc4ccccc4c(=O)[nH]3)CC2)n1
|
C21H23N5O2 377.448000 |
DPJALIPULOJDQF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503597; PubChem:CID137289710
|
Local ready
Direct docking supported
|
|
E3L020952
BDB020952
|
BDBM503598
Cc1ccnc(N2CCN(C(=O)CCc3nc4ccccc4c(=O)[nH]3)CC2)c1
|
C21H23N5O2 377.448000 |
CTQWYJPXBBZIRX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503598; PubChem:CID137289698
|
Local ready
Direct docking supported
|
|
E3L020953
BDB020953
|
BDBM503599
N#Cc1cnc(N2CCN(C(=O)CCc3nc4ccccc4c(=O)[nH]3)CC2)cn1
|
C20H19N7O2 389.419000 |
CQANUCNRTBYOHB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503599; PubChem:CID137289679
|
Local ready
Direct docking supported
|
|
E3L020954
BDB020954
|
BDBM503600
N#Cc1cnc(N2CCN(C(=O)CCc3nc4ccccc4c(=O)[nH]3)CC2)s1
|
C19H18N6O2S 394.460000 |
HWALGPHFTLHIJH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503600; PubChem:CID137289694
|
Local ready
Direct docking supported
|
|
E3L020955
BDB020955
|
BDBM503601
N#Cc1ccc(N2CCN(C(=O)CCc3nc4ccncc4c(=O)[nH]3)CC2)nc1
|
C20H19N7O2 389.419000 |
DCKOTUWMKQMCJB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503601; PubChem:CID137289657
|
Local ready
Direct docking supported
|
|
E3L020956
BDB020956
|
BDBM503602
N#Cc1ccc(N2CCN(C(=O)CCc3nc4ncccc4c(=O)[nH]3)CC2)nc1
|
C20H19N7O2 389.419000 |
VSQZQYZZUFEMMP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503602; PubChem:CID137289691
|
Local ready
Direct docking supported
|
|
E3L020957
BDB020957
|
BDBM503603
CC(CC(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1nc2ccccc2c(=O)[nH]1
|
C22H22N6O2 402.458000 |
HBVQNSQGWJOPQF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503603; PubChem:CID137291173
|
Local ready
Direct docking supported
|
|
E3L020958
BDB020958
|
BDBM503604
C[C@H]1CN(c2ccc(C#N)cn2)CCN1C(=O)CCc1nc2ccc(F)c(F)c2c(=O)[nH]1
|
C22H20F2N6O2 438.438000 |
WKIFCWJYGMWURI-ZDUSSCGKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503604; PubChem:CID137289647
|
Local ready
Direct docking supported
|
|
E3L020959
BDB020959
|
BDBM503605
N#Cc1cnc(N2CCN(C(=O)CCc3nc4ccccc4c(=O)[nH]3)CC2)nc1
|
C20H19N7O2 389.419000 |
SMJAGPVWISRXSA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503605; PubChem:CID137289750
|
Local ready
Direct docking supported
|
|
E3L020960
BDB020960
|
BDBM503606
CN/C(C#N)=C\C(=N)N1CCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1
|
C20H23N7O2 393.451000 |
SNIHOQWUMVGWSB-PPJCCZRMSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503606; PubChem:CID137291174
|
Local ready
Direct docking supported
|