| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L024001
BDB024001
|
BDBM538044
O=C(C1CCCC1)N1CCP(=O)(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C25H27FN3O3P 467.481000 |
VRMUFOYCHGHIQR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538044; PubChem:CID71078065
|
Local ready
Direct docking supported
|
|
E3L024002
BDB024002
|
BDBM538045
O=C(C1CC1)N1CCP(=O)(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C23H23FN3O3P 439.427000 |
BRSZGGBHINPRIY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538045; PubChem:CID71478287
|
Local ready
Direct docking supported
|
|
E3L024003
BDB024003
|
BDBM538046
O=C(C1CCC1)N1CCP(=O)(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C24H25FN3O3P 453.454000 |
FRDXXYHLKDHJAO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538046; PubChem:CID71478348
|
Local ready
Direct docking supported
|
|
E3L024004
BDB024004
|
BDBM538047
CC(C)(C)CC(=O)N1CCP(=O)(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C25H29FN3O3P 469.497000 |
CXRWKRDZMZOWOK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538047; PubChem:CID71478288
|
Local ready
Direct docking supported
|
|
E3L024005
BDB024005
|
BDBM538048
O=C(N1CCP(=O)(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1)N1CCC(F)(F)C1
|
C24H24F3N4O3P 504.449000 |
BKUXWCCCMMTGQB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538048; PubChem:CID71478349
|
Local ready
Direct docking supported
|
|
E3L024006
BDB024006
|
BDBM538049
O=C(C1CCCO1)N1CCP(=O)(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C24H25FN3O4P 469.453000 |
ZNXLVJPRCGZYSN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538049; PubChem:CID71478347
|
Local ready
Direct docking supported
|
|
E3L024007
BDB024007
|
BDBM538050
CC(C)(C)C(=O)N1CCP(=O)(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C24H27FN3O3P 455.470000 |
IGNMHJYSOVXIFH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538050; PubChem:CID71478350
|
Local ready
Direct docking supported
|
|
E3L024008
BDB024008
|
BDBM538051
CN(C)C(=O)N1CCP(=O)(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C22H24FN4O3P 442.431000 |
OTUFIKSADHPTNT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538051; PubChem:CID71076641
|
Local ready
Direct docking supported
|
|
E3L024009
BDB024009
|
BDBM538053
N#C/N=C(\N1CCC1)N1CCP(=O)(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C24H24FN6O2P 478.468000 |
IGOSQCRGKHXLOP-SOYKGTTHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM538053
|
Local ready
Direct docking supported
|
|
E3L024010
BDB024010
|
BDBM538054
O=c1[nH]nc(Cc2ccc(F)c(P3(=O)CCN(c4ncccn4)CC3)c2)c2ccccc12
|
C23H21FN5O2P 449.426000 |
XJZZZXBGQBLBGP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538054; PubChem:CID71109325
|
Local ready
Direct docking supported
|
|
E3L024011
BDB024011
|
BDBM538055
O=c1[nH]nc(Cc2ccc(F)c(P3(=O)CCN(c4ccc(Cl)nn4)CC3)c2)c2ccccc12
|
C23H20ClFN5O2P 483.871000 |
WJVBJCFTNYZSRH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538055; PubChem:CID71478408
|
Local ready
Direct docking supported
|
|
E3L024012
BDB024012
|
BDBM538056
N#Cc1ccc(N2CCP(=O)(c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)nc1
|
C25H21FN5O2P 473.448000 |
OQPFHBDAQFMTDA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538056; PubChem:CID71478409
|
Local ready
Direct docking supported
|
|
E3L024013
BDB024013
|
BDBM538057
N#Cc1ccc(N2CCP(=O)(c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)cc1
|
C26H22FN4O2P 472.460000 |
LCPNZMAGUHRZLU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538057; PubChem:CID71078058
|
Local ready
Direct docking supported
|
|
E3L024014
BDB024014
|
BDBM538058
N#Cc1cccnc1N1CCP(=O)(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C25H21FN5O2P 473.448000 |
SKEXHWXYYYNLRX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538058; PubChem:CID71478474
|
Local ready
Direct docking supported
|
|
E3L024015
BDB024015
|
BDBM538059
O=c1[nH]nc(Cc2ccc(F)c(P3(=O)CCN(c4ccnc(Cl)n4)CC3)c2)c2ccccc12
|
C23H20ClFN5O2P 483.871000 |
OWIYWCUWDVRVDE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538059; PubChem:CID71478475
|
Local ready
Direct docking supported
|
|
E3L024016
BDB024016
|
BDBM538060
O=c1[nH]nc(Cc2ccc(F)c(P3(=O)CCN(c4nccc(Cl)n4)CC3)c2)c2ccccc12
|
C23H20ClFN5O2P 483.871000 |
BKZTYCWWOMBELR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538060; PubChem:CID71478476
|
Local ready
Direct docking supported
|
|
E3L024017
BDB024017
|
BDBM538061
O=c1[nH]nc(Cc2ccc(F)c(P3(=O)CCN(c4ccccn4)CC3)c2)c2ccccc12
|
C24H22FN4O2P 448.438000 |
IPDGHQNWOSRPQS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538061; PubChem:CID71478477
|
Local ready
Direct docking supported
|
|
E3L024018
BDB024018
|
BDBM538062
O=c1[nH]nc(Cc2ccc(F)c(P3(=O)CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)c2)c2ccccc12
|
C25H20ClF4N4O2P 550.880000 |
XAZWTEGUKFZAAE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538062; PubChem:CID90314514
|
Local ready
Direct docking supported
|
|
E3L024019
BDB024019
|
BDBM538063
O=c1[nH]nc(Cc2ccc(F)c(P3(=O)CCN(c4ncnc5ccccc45)CC3)c2)c2ccccc12
|
C27H23FN5O2P 499.486000 |
JNMVUYYAILWEAQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538063; PubChem:CID71478543
|
Local ready
Direct docking supported
|
|
E3L024020
BDB024020
|
BDBM538064
O=c1[nH]nc(Cc2ccc(F)c(P3(=O)CCN(c4cc(Cl)ncn4)CC3)c2)c2ccccc12
|
C23H20ClFN5O2P 483.871000 |
VQUKLXMFRZYSPC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538064; PubChem:CID71478544
|
Local ready
Direct docking supported
|