| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L017681
BDB017681
|
BDBM419801
N#Cc1csc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)n1
|
C21H22N6OS 406.515000 |
VOQLJAINULFPEC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419801; PubChem:CID124134747
|
Local ready
Direct docking supported
|
|
E3L017682
BDB017682
|
BDBM419802
N#Cc1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)s1
|
C22H23N5OS 405.527000 |
QBLCDAXXROYNNC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419802; PubChem:CID124134756
|
Local ready
Direct docking supported
|
|
E3L017683
BDB017683
|
BDBM419803
CCOC(=O)c1cnc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)s1
|
C23H27N5O3S 453.568000 |
QAJSMIVRRQDYBG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419803; PubChem:CID124134757
|
Local ready
Direct docking supported
|
|
E3L017684
BDB017684
|
BDBM419804
N#Cc1cnc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)s1
|
C21H22N6OS 406.515000 |
ONEIDYKHPRMDQO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419804; PubChem:CID124134813
|
Local ready
Direct docking supported
|
|
E3L017685
BDB017685
|
BDBM419805
N#Cc1nnc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)s1
|
C20H21N7OS 407.503000 |
LZKGLICEGUTSDW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419805; PubChem:CID124134820
|
Local ready
Direct docking supported
|
|
E3L017686
BDB017686
|
BDBM419806
N#Cc1coc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)n1
|
C21H22N6O2 390.447000 |
LZPDYLRFIGMNHY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419806; PubChem:CID124134814
|
Local ready
Direct docking supported
|
|
E3L017687
BDB017687
|
BDBM419807
N#Cc1nsc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)n1
|
C20H21N7OS 407.503000 |
CBRIZHZYFLCPAP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419807; PubChem:CID124134815
|
Local ready
Direct docking supported
|
|
E3L017688
BDB017688
|
BDBM419808
N#Cc1nnc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)o1
|
C20H21N7O2 391.435000 |
QFIPDHPQCAZUOH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419808; PubChem:CID124134816
|
Local ready
Direct docking supported
|
|
E3L017689
BDB017689
|
BDBM419809
O=c1[nH]c2cc(CN3CCN(c4nc5cc(Cl)ccc5o4)CC3)ccc2c2c1CCCN2
|
C24H24ClN5O2 449.942000 |
KJLFPHLLVUYURJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419809; PubChem:CID124134658
|
Local ready
Direct docking supported
|
|
E3L017690
BDB017690
|
BDBM419810
Cc1nc2ccc(N3CCN(Cc4ccc5c6c(c(=O)[nH]c5c4)CCCN6)CC3)cc2o1
|
C25H27N5O2 429.524000 |
REYKGSARKODXFQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419810; PubChem:CID124134664
|
Local ready
Direct docking supported
|
|
E3L017691
BDB017691
|
BDBM419811
Cc1noc2ccc(N3CCN(Cc4ccc5c6c(c(=O)[nH]c5c4)CCCN6)CC3)cc12
|
C25H27N5O2 429.524000 |
ORSBXGBOZDSEJT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419811; PubChem:CID124134660
|
Local ready
Direct docking supported
|
|
E3L017692
BDB017692
|
BDBM419812
O=c1[nH]c2cc(CN3CCN(c4ccc5cc[nH]c5c4)CC3)ccc2c2c1CCCN2
|
C25H27N5O 413.525000 |
WPTNASIDXWQCDG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419812; PubChem:CID124134662
|
Local ready
Direct docking supported
|
|
E3L017693
BDB017693
|
BDBM419813
O=c1[nH]c2cc(CN3CCN(c4ccc5[nH]ncc5c4)CC3)ccc2c2c1CCCN2
|
C24H26N6O 414.513000 |
LRRAZXKYVVVMLY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419813; PubChem:CID124134659
|
Local ready
Direct docking supported
|
|
E3L017694
BDB017694
|
BDBM419814
O=c1[nH]c2cc(CN3CCN(c4ccc5cn[nH]c5c4)CC3)ccc2c2c1CCCN2
|
C24H26N6O 414.513000 |
DPKCTDXZHPAPLS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419814; PubChem:CID124134850
|
Local ready
Direct docking supported
|
|
E3L017695
BDB017695
|
BDBM419815
O=c1[nH]c2cc(CN3CCN(c4ccc5oncc5c4)CC3)ccc2c2c1CCCN2
|
C24H25N5O2 415.497000 |
MEUPGVYNDJKQDV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419815; PubChem:CID124134852
|
Local ready
Direct docking supported
|
|
E3L017696
BDB017696
|
BDBM419816
O=c1[nH]c2cc(CN3CCN(c4nc5ncccc5o4)CC3)ccc2c2c1CCCN2
|
C23H24N6O2 416.485000 |
FEJSZHYTJZOZCI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419816; PubChem:CID124134849
|
Local ready
Direct docking supported
|
|
E3L017697
BDB017697
|
BDBM419817
O=c1[nH]c2cc(CN3CCN(c4nc5cccnc5o4)CC3)ccc2c2c1CCCN2
|
C23H24N6O2 416.485000 |
KCKQGUXPHXIAKY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419817; PubChem:CID124134851
|
Local ready
Direct docking supported
|
|
E3L017698
BDB017698
|
BDBM419818
O=c1[nH]c2cc(CN3CCN(c4ccc5c(n4)OCC5)CC3)ccc2c2c1CCCN2
|
C24H27N5O2 417.513000 |
RMXRKPRIWWJAPC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419818; PubChem:CID124134821
|
Local ready
Direct docking supported
|
|
E3L017699
BDB017699
|
BDBM419819
N#Cc1cnc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c2c1CCC2
|
C26H28N6O 440.551000 |
XSNYVOJACDGFLR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419819; PubChem:CID124134823
|
Local ready
Direct docking supported
|
|
E3L017700
BDB017700
|
BDBM419820
O=c1[nH]c2cc(CN3C4CCC3CN(c3cnccn3)C4)ccc2c2c1CCCN2
|
C23H26N6O 402.502000 |
FSFKDNPHPFINJD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419820; PubChem:CID124134824
|
Local ready
Direct docking supported
|