| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051101
BDB051101
|
BDBM50288576
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCC12CCNCC2
|
C23H23FN4O2 406.461000 |
YMFSEWATQHEVBN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288576; PubChem:CID145956709
|
Local ready
Direct docking supported
|
|
E3L051102
BDB051102
|
BDBM50288577
CC(C)(C)OC(=O)N1CCC2(CC1)CCN2C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
|
C28H31FN4O4 506.578000 |
SVEDGXTWKBGGPN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288577; PubChem:CID145954839
|
Local ready
Direct docking supported
|
|
E3L051103
BDB051103
|
BDBM50288598
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CC2(CCNCC2)C1
|
C23H23FN4O2 406.461000 |
PHBGVCKMVXZJAU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288598; PubChem:CID145953198
|
Local ready
Direct docking supported
|
|
E3L051104
BDB051104
|
BDBM50288599
O=C(C1CC1)N1CC2(CCN2C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1
|
C25H23FN4O3 446.482000 |
WSTKPUAPFCQLTL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288599; PubChem:CID145952032
|
Local ready
Direct docking supported
|
|
E3L051105
BDB051105
|
BDBM50288722
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCC12CNC2
|
C21H19FN4O2 378.407000 |
CZOWUEDVRMNDLF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288722; PubChem:CID145957106
|
Local ready
Direct docking supported
|
|
E3L051106
BDB051106
|
BDBM50288723
CC(C)(C)OC(=O)N1CC2(CCN2C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1
|
C26H27FN4O4 478.524000 |
KWZXDKBSTQHUJN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288723; PubChem:CID145954883
|
Local ready
Direct docking supported
|
|
E3L051107
BDB051107
|
BDBM50288724
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CC2(CNC2)C1
|
C21H19FN4O2 378.407000 |
PGEHQMBBDVCZBC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288724; PubChem:CID145956133
|
Local ready
Direct docking supported
|
|
E3L051108
BDB051108
|
BDBM50288725
CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)C2
|
C26H27FN4O4 478.524000 |
BJNFZLBFEJFICR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288725; PubChem:CID145975974
|
Local ready
Direct docking supported
|
|
E3L051109
BDB051109
|
BDBM50288726
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCC2(CCCCC2)CC1
|
C26H28FN3O2 433.527000 |
PICNYQSZNYVSEU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288726; PubChem:CID145953368
|
Local ready
Direct docking supported
|
|
E3L051110
BDB051110
|
BDBM50288727
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCC2(CC1)CCN(C(=O)C1CC1)CC2
|
C29H31FN4O3 502.590000 |
WNSCHUNLCBKWPT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288727; PubChem:CID145950405
|
Local ready
Direct docking supported
|
|
E3L051111
BDB051111
|
BDBM50288728
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCC2(CCCCC2)C1
|
C25H26FN3O2 419.500000 |
OWWOKYFDMSRUOL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288728; PubChem:CID145956187
|
Local ready
Direct docking supported
|
|
E3L051112
BDB051112
|
BDBM50288729
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CC2(CCN(C(=O)C3CC3)CC2)C1
|
C27H27FN4O3 474.536000 |
DZHLUKAKWQNXMK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288729; PubChem:CID145954692
|
Local ready
Direct docking supported
|
|
E3L051113
BDB051113
|
BDBM50288730
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCC12CCC2
|
C22H20FN3O2 377.419000 |
NETZKQOCJTVMQH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288730; PubChem:CID145959724
|
Local ready
Direct docking supported
|
|
E3L051114
BDB051114
|
BDBM50288731
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCC2(CCNCC2)CC1
|
C25H27FN4O2 434.515000 |
JTEIMHCNAYARNT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288731; PubChem:CID145958999
|
Local ready
Direct docking supported
|
|
E3L051115
BDB051115
|
BDBM50288732
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCC2(CNC2)C1
|
C22H21FN4O2 392.434000 |
SBZYEXRPODOXGK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288732; PubChem:CID145952683
|
Local ready
Direct docking supported
|
|
E3L051116
BDB051116
|
BDBM50288733
O=C(C1CC1)N1CCC2(CC1)CCN2C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
|
C27H27FN4O3 474.536000 |
DKBLNSZELYFMFX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288733; PubChem:CID145971751
|
Local ready
Direct docking supported
|
|
E3L051117
BDB051117
|
BDBM50288734
CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)C2
|
C28H31FN4O4 506.578000 |
HTEJAQHUIZOZBK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288734; PubChem:CID145972414
|
Local ready
Direct docking supported
|
|
E3L051118
BDB051118
|
BDBM50288735
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CC2(C1)CN(C(=O)C1CC1)C2
|
C25H23FN4O3 446.482000 |
FALSUKQEJNJIJI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288735; PubChem:CID145952501
|
Local ready
Direct docking supported
|
|
E3L051119
BDB051119
|
BDBM50288736
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CC2(CCC2)C1
|
C22H20FN3O2 377.419000 |
JTHGDULTWCPEQD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288736; PubChem:CID145956975
|
Local ready
Direct docking supported
|
|
E3L051120
BDB051120
|
Phenylethynylsulfanyl-acetic acid
O=C(O)CSC#Cc1ccccc1
|
C10H8O2S 192.239000 |
MPELPNOMQMRXFF-UHFFFAOYSA-N | P19021 | Peptidyl-glycine alpha-amidating monooxygenase |
BindingDB, PubChem
BindingDB:BDBM50288770; PubChem:CID44351668
|
Local ready
Direct docking supported
|