| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L006081
BDB006081
|
BDBM139661
O=c1[nH]nc2c3c(cccc13)N=C(CN1CCN(Cc3ccccc3)CC1)N2
|
C21H22N6O 374.448000 |
GECJPYVYPOYSTF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139661; PubChem:CID135921371
|
Local ready
Direct docking supported
|
|
E3L006082
BDB006082
|
BDBM139662
CN1CCCN(CC2=Nc3cccc4c(=O)[nH]nc(c34)N2)CC1
|
C16H20N6O 312.377000 |
DLNYDTVESZUAMA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139662; PubChem:CID135921372
|
Local ready
Direct docking supported
|
|
E3L006083
BDB006083
|
BDBM139663
O=c1[nH]nc2c3c(cccc13)N=C(CN1CCC(c3c[nH]c4ccccc34)CC1)N2
|
C23H22N6O 398.470000 |
VMVNHGAMUZIEBJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139663; PubChem:CID135921373
|
Local ready
Direct docking supported
|
|
E3L006084
BDB006084
|
BDBM139664
O=c1[nH]nc2c3c(cccc13)N=C(CNCCc1ccncc1)N2
|
C17H16N6O 320.356000 |
KZQUFNYGJYYMLF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139664; PubChem:CID135921374
|
Local ready
Direct docking supported
|
|
E3L006085
BDB006085
|
BDBM139665
O=c1[nH]nc2c3c(cccc13)N=C(CN1CCc3ccccc3C1)N2
|
C19H17N5O 331.379000 |
NRBYISKXRADZBO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139665; PubChem:CID135921384
|
Local ready
Direct docking supported
|
|
E3L006086
BDB006086
|
BDBM139666
COc1ccc2c(c1OC)CCN(CC1=Nc3cccc4c(=O)[nH]nc(c34)N1)C2
|
C21H21N5O3 391.431000 |
NSZFUOFCFIBXNF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139666; PubChem:CID135921385
|
Local ready
Direct docking supported
|
|
E3L006087
BDB006087
|
BDBM139667
O=c1[nH]nc2c3c(cccc13)N=C(CN1CCCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC1)N2
|
C22H21F3N6O3S 506.510000 |
UOMKEYFSXGXYAR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139667; PubChem:CID135921386
|
Local ready
Direct docking supported
|
|
E3L006088
BDB006088
|
BDBM139668
COc1ccc(S(=O)(=O)N2CCN(CC3=Nc4cccc5c(=O)[nH]nc(c45)N3)CC2)cc1
|
C21H22N6O4S 454.512000 |
XBLPJYARGFIYBQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139668; PubChem:CID135921387
|
Local ready
Direct docking supported
|
|
E3L006089
BDB006089
|
BDBM139669
O=c1[nH]nc2c3c(cccc13)N=C(CN1CCN(S(=O)(=O)c3cccc(F)c3)CC1)N2
|
C20H19FN6O3S 442.476000 |
RJWJDXGGEANTKR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139669; PubChem:CID135921388
|
Local ready
Direct docking supported
|
|
E3L006090
BDB006090
|
BDBM139670
Cc1ccc(S(=O)(=O)N2CCN(CC3=Nc4cccc5c(=O)[nH]nc(c45)N3)CC2)cc1
|
C21H22N6O3S 438.513000 |
PYYUSRJCVZBTDU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139670; PubChem:CID135921389
|
Local ready
Direct docking supported
|
|
E3L006091
BDB006091
|
BDBM139671
O=c1[nH]nc2c3c(cccc13)N=C(CN1CCN(S(=O)(=O)c3ccccc3)CC1)N2
|
C20H20N6O3S 424.486000 |
FBRRYYLADVWKMY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139671; PubChem:CID135921403
|
Local ready
Direct docking supported
|
|
E3L006092
BDB006092
|
BDBM139672
O=c1[nH]nc2c3c(cccc13)N=C(CN1CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC1)N2
|
C21H19F3N6O3S 492.483000 |
KVBYVVFWOFARLZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139672; PubChem:CID135921404
|
Local ready
Direct docking supported
|
|
E3L006093
BDB006093
|
BDBM139673
O=c1[nH]nc2c3c(cccc13)N=C(CN1CCN(S(=O)(=O)c3ccc(Cl)cc3)CC1)N2
|
C20H19ClN6O3S 458.931000 |
YJAGZRRILFTSPP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139673; PubChem:CID135921405
|
Local ready
Direct docking supported
|
|
E3L006094
BDB006094
|
BDBM139674
O=c1[nH]nc2c3c(cccc13)N=C(CN1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)N2
|
C20H19FN6O3S 442.476000 |
ZWKRUZAZOTZJSC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139674; PubChem:CID135921406
|
Local ready
Direct docking supported
|
|
E3L006095
BDB006095
|
BDBM139675
CC(C)c1ccc(S(=O)(=O)N2CCN(CC3=Nc4cccc5c(=O)[nH]nc(c45)N3)CC2)cc1
|
C23H26N6O3S 466.567000 |
JTCBWEHMCWPRHW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139675; PubChem:CID135921407
|
Local ready
Direct docking supported
|
|
E3L006096
BDB006096
|
BDBM139676
CC(C)(C)c1ccc(S(=O)(=O)N2CCN(CC3=Nc4cccc5c(=O)[nH]nc(c45)N3)CC2)cc1
|
C24H28N6O3S 480.594000 |
VEYPYKICHYBXSH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139676; PubChem:CID135921408
|
Local ready
Direct docking supported
|
|
E3L006097
BDB006097
|
BDBM139677
CC(C)c1ccc(S(=O)(=O)N2CCCN(CC3=Nc4cccc5c(=O)[nH]nc(c45)N3)CC2)cc1
|
C24H28N6O3S 480.594000 |
JJGMVDAGYLREBJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139677; PubChem:CID135921423
|
Local ready
Direct docking supported
|
|
E3L006098
BDB006098
|
BDBM139678
O=c1[nH]nc2c3c(cccc13)N=C(CN1CCCN(S(=O)(=O)c3ccc(Cl)cc3)CC1)N2
|
C21H21ClN6O3S 472.958000 |
FFXCQMLBOCOVDV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139678; PubChem:CID135921424
|
Local ready
Direct docking supported
|
|
E3L006099
BDB006099
|
BDBM139679
O=c1[nH]nc2c3c(cccc13)N=C(CN1CCCN(S(=O)(=O)c3cccc(F)c3)CC1)N2
|
C21H21FN6O3S 456.503000 |
OOGYBTCMBOVWII-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139679; PubChem:CID135921425
|
Local ready
Direct docking supported
|
|
E3L006100
BDB006100
|
BDBM139680
COc1ccc(S(=O)(=O)N2CCCN(CC3=Nc4cccc5c(=O)[nH]nc(c45)N3)CC2)cc1
|
C22H24N6O4S 468.539000 |
IFAJMHIPVBMFOF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139680; PubChem:CID135921426
|
Local ready
Direct docking supported
|