| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L017661
BDB017661
|
BDBM419781
O=c1[nH]c2cc(CN3CCN(c4ccc([N+](=O)[O-])c(F)c4)CC3)ccc2c2c1CCCN2
|
C23H24FN5O3 437.475000 |
OCLDJPYPPFDDNO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419781; PubChem:CID124134669
|
Local ready
Direct docking supported
|
|
E3L017662
BDB017662
|
BDBM419782
O=c1[nH]c2cc(CN3CCN(c4ccc(Cl)cn4)CC3)ccc2c2c1CCCN2
|
C22H24ClN5O 409.921000 |
CVTFVYCHNGODLR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419782; PubChem:CID134595881
|
Local ready
Direct docking supported
|
|
E3L017663
BDB017663
|
BDBM419783
O=c1[nH]c2cc(CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)ccc2c2c1CCCN2
|
C23H24F3N5O 443.473000 |
DSMKOPZWVOUXJH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419783; PubChem:CID124134749
|
Local ready
Direct docking supported
|
|
E3L017664
BDB017664
|
BDBM419784
CS(=O)(=O)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)nc1
|
C23H27N5O3S 453.568000 |
OTDIMNJLKVGGOB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419784; PubChem:CID134595882
|
Local ready
Direct docking supported
|
|
E3L017665
BDB017665
|
BDBM419785
N#Cc1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)cn1
|
C23H24N6O 400.486000 |
RLKUZCOFKFUEHH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419785; PubChem:CID124134751
|
Local ready
Direct docking supported
|
|
E3L017666
BDB017666
|
BDBM419786
N#Cc1ccnc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c1
|
C23H24N6O 400.486000 |
CCWTWPIDXUGAKX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419786; PubChem:CID124134841
|
Local ready
Direct docking supported
|
|
E3L017667
BDB017667
|
BDBM419787
N#Cc1cccnc1N1CCN(Cc2ccc3c4c(c(=O)[nH]c3c2)CCCN4)CC1
|
C23H24N6O 400.486000 |
PITKHMJQSBHPED-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419787; PubChem:CID124134847
|
Local ready
Direct docking supported
|
|
E3L017668
BDB017668
|
BDBM419788
N#Cc1cccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)n1
|
C23H24N6O 400.486000 |
SLFOPCGYYAWVOV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419788; PubChem:CID124134848
|
Local ready
Direct docking supported
|
|
E3L017669
BDB017669
|
BDBM419789
COc1ccnc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c1
|
C23H27N5O2 405.502000 |
WPOOFQKQDPJWDC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419789; PubChem:CID124134834
|
Local ready
Direct docking supported
|
|
E3L017670
BDB017670
|
BDBM419790
COCc1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)nc1
|
C24H29N5O2 419.529000 |
GBEWXEQDDXPZJQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419790; PubChem:CID124134750
|
Local ready
Direct docking supported
|
|
E3L017671
BDB017671
|
BDBM419791
N#Cc1cnc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)cn1
|
C22H23N7O 401.474000 |
DBLBOZLZPCJKAH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419791; PubChem:CID124134752
|
Local ready
Direct docking supported
|
|
E3L017672
BDB017672
|
BDBM419792
Cc1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)nn1
|
C22H26N6O 390.491000 |
IJBYNDGJXZTLOU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419792; PubChem:CID134595879
|
Local ready
Direct docking supported
|
|
E3L017673
BDB017673
|
BDBM419793
COc1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)nn1
|
C22H26N6O2 406.490000 |
DVBFHLPDOMIKKR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419793; PubChem:CID124134746
|
Local ready
Direct docking supported
|
|
E3L017674
BDB017674
|
BDBM419794
N#Cc1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)nn1
|
C22H23N7O 401.474000 |
XUFWBGKENCGHSD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419794; PubChem:CID124134754
|
Local ready
Direct docking supported
|
|
E3L017675
BDB017675
|
BDBM419795
N#Cc1cnc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c(Cl)c1
|
C23H23ClN6O 434.931000 |
DBTLGWQFPVIXTJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419795; PubChem:CID124134661
|
Local ready
Direct docking supported
|
|
E3L017676
BDB017676
|
BDBM419796
N#Cc1cnc(Cl)cc1N1CCN(Cc2ccc3c4c(c(=O)[nH]c3c2)CCCN4)CC1
|
C23H23ClN6O 434.931000 |
UWIOUEAALWYOMW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419796; PubChem:CID134601742
|
Local ready
Direct docking supported
|
|
E3L017677
BDB017677
|
BDBM419797
N#Cc1cnc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)cc1Cl
|
C23H23ClN6O 434.931000 |
PZYRHYWULWFGBG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419797; PubChem:CID124134663
|
Local ready
Direct docking supported
|
|
E3L017678
BDB017678
|
BDBM419798
N#Cc1cc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)ncc1Cl
|
C23H23ClN6O 434.931000 |
ZQOOYSDYFDOSOW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419798; PubChem:CID124134665
|
Local ready
Direct docking supported
|
|
E3L017679
BDB017679
|
BDBM419799
COc1cc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)ncc1C#N
|
C24H26N6O2 430.512000 |
RSZFCUWJGDNCGK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419799; PubChem:CID124134745
|
Local ready
Direct docking supported
|
|
E3L017680
BDB017680
|
BDBM419800
COc1cc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)ncc1Br
|
C23H26BrN5O2 484.398000 |
FKWXKKZUUCOCBQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419800; PubChem:CID124134748
|
Local ready
Direct docking supported
|