| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046041
BDB046041
|
BDBM50120256
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc(OC(F)F)cc1
|
C19H19F2N3O5S 439.440000 |
WQXUAUXOFSEANF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120256; PubChem:CID44337901
|
Local ready
Direct docking supported
|
|
E3L046042
BDB046042
|
BDBM50120257
COc1ccc(-c2ccc(C(=O)CNC(=O)CCn3c4c(c(=O)[nH]c3=O)CSCC4)cc2)cc1
|
C25H25N3O5S 479.558000 |
POUWRMSSRZFVOC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120257; PubChem:CID44338228
|
Local ready
Direct docking supported
|
|
E3L046043
BDB046043
|
BDBM50120258
O=C(CCn1c2c(c(=O)[nH]c1=O)CCC2)NCC(=O)N1CCN(c2ncccn2)CC1
|
C20H25N7O4 427.465000 |
OJIHJGWDXHQHCL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120258; PubChem:CID44338282
|
Local ready
Direct docking supported
|
|
E3L046044
BDB046044
|
BDBM50120259
O=C(CCn1c2c(c(=O)[nH]c1=O)CC=CCC2)NCC(=O)N1CCN(c2ncccn2)CC1
|
C22H27N7O4 453.503000 |
SMFWZQOOMJDMDZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120259; PubChem:CID44338005
|
Local ready
Direct docking supported
|
|
E3L046045
BDB046045
|
BDBM50120260
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc(Cl)cc1
|
C18H18ClN3O4S 407.879000 |
KGIWOMQWFDVGQO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120260; PubChem:CID44338216
|
Local ready
Direct docking supported
|
|
E3L046046
BDB046046
|
BDBM50120261
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)N1CCN(c2cccnn2)CC1
|
C20H25N7O4S 459.532000 |
YKFJMGBQYHHFHW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120261; PubChem:CID44337988
|
Local ready
Direct docking supported
|
|
E3L046047
BDB046047
|
BDBM50120262
COc1ccc(N2CCN(C(=O)CNC(=O)CCn3c4c(c(=O)[nH]c3=O)CSCC4)CC2)cc1
|
C23H29N5O5S 487.582000 |
WNOZERPNFJNXMQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120262; PubChem:CID10117105
|
Local ready
Direct docking supported
|
|
E3L046048
BDB046048
|
BDBM50120263
O=C(CCCCCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)N1CCN(c2ncccn2)CC1
|
C23H31N7O4S 501.613000 |
VKLQZEWDLIGOHF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120263; PubChem:CID44338036
|
Local ready
Direct docking supported
|
|
E3L046049
BDB046049
|
BDBM50120264
CN(CC(=O)c1ccc2ccccc2c1)C(=O)CCn1c2c(c(=O)[nH]c1=O)CCCC2
|
C24H25N3O4 419.481000 |
ZDVRAZHLKMGHTL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120264; PubChem:CID44337980
|
Local ready
Direct docking supported
|
|
E3L046050
BDB046050
|
BDBM50120265
COc1ccc(C(=O)CNC(=O)CCn2c3c(c(=O)[nH]c2=O)CSCC3)cc1
|
C19H21N3O5S 403.460000 |
COPXGNRETUELEB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120265; PubChem:CID44338295
|
Local ready
Direct docking supported
|
|
E3L046051
BDB046051
|
BDBM50120266
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)N1CCN(c2ncncn2)CC1
|
C19H24N8O4S 460.520000 |
CDNGRGMJUYPNGR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120266; PubChem:CID44337977
|
Local ready
Direct docking supported
|
|
E3L046052
BDB046052
|
BDBM50120267
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)N1CCN(c2ncccn2)CC1
|
C20H25N7O4S 459.532000 |
OUOPMHFFHAPHIO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120267; PubChem:CID9868833
|
Local ready
Direct docking supported
|
|
E3L046053
BDB046053
|
BDBM50120268
O=C(CCn1c2c(c(=O)[nH]c1=O)CCCC2)NCC(=O)c1ccc(Br)cc1
|
C19H20BrN3O4 434.290000 |
ATJQMIAIWKHJSS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120268; PubChem:CID44338202
|
Local ready
Direct docking supported
|
|
E3L046054
BDB046054
|
BDBM50120269
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc(Br)cc1
|
C18H18BrN3O4S 452.330000 |
BFAMJUVEWRCDMW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120269; PubChem:CID44337902
|
Local ready
Direct docking supported
|
|
E3L046055
BDB046055
|
BDBM50120270
O=C(CCn1c2c(c(=O)[nH]c1=O)C/C=C\C=C/CC2)NCC(=O)N1CCN(c2ncccn2)CC1
|
C24H29N7O4 479.541000 |
FQHWUSKEUCAPCT-CCAGOZQPSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120270; PubChem:CID44338076
|
Local ready
Direct docking supported
|
|
E3L046056
BDB046056
|
BDBM50120271
O=C(CCn1c2c(c(=O)[nH]c1=O)COCC2)NCC(=O)N1CCN(c2ncccn2)CC1
|
C20H25N7O5 443.464000 |
FVWJWNKUEGYAGT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120271; PubChem:CID44338091
|
Local ready
Direct docking supported
|
|
E3L046057
BDB046057
|
BDBM50120272
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)N1CCN(c2ncccc2C(F)(F)F)CC1
|
C22H25F3N6O4S 526.541000 |
UMMWQFJVYFFLDK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120272; PubChem:CID44338073
|
Local ready
Direct docking supported
|
|
E3L046058
BDB046058
|
BDBM50120273
O=C(Cn1c2c(c(=O)[nH]c1=O)CSCC2)NCCC(=O)N1CCN(c2ncccn2)CC1
|
C20H25N7O4S 459.532000 |
MLJKDPXXEYMACF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120273; PubChem:CID44338056
|
Local ready
Direct docking supported
|
|
E3L046059
BDB046059
|
BDBM50120274
O=C(CCn1c2c(c(=O)[nH]c1=O)CCCC2)NCC(=O)c1ccc2ccccc2c1
|
C23H23N3O4 405.454000 |
CKBYPHXZBYAHFP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120274; PubChem:CID10111909
|
Local ready
Direct docking supported
|
|
E3L046060
BDB046060
|
BDBM50120275
COc1ccc(C(=O)CNC(=O)CCn2c3c(c(=O)[nH]c2=O)CCCC3)cc1
|
C20H23N3O5 385.420000 |
DAXTYMZOIZCYBQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120275; PubChem:CID44338275
|
Local ready
Direct docking supported
|