| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L024021
BDB024021
|
BDBM538065
O=c1[nH]nc(Cc2ccc(F)c(P3(=O)CCN(c4ncccc4F)CC3)c2)c2ccccc12
|
C24H21F2N4O2P 466.428000 |
QIERHUUXAJEAIY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538065; PubChem:CID71478545
|
Local ready
Direct docking supported
|
|
E3L024022
BDB024022
|
BDBM538066
O=c1[nH]nc(Cc2ccc(F)c(P3(=O)CCN(c4ccc(C(F)(F)F)cn4)CC3)c2)c2ccccc12
|
C25H21F4N4O2P 516.435000 |
CFQQXVDTQFRITF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538066; PubChem:CID71478546
|
Local ready
Direct docking supported
|
|
E3L024023
BDB024023
|
BDBM538067
O=c1[nH]nc(Cc2ccc(F)c(P3(=O)CCN(c4cccc(F)n4)CC3)c2)c2ccccc12
|
C24H21F2N4O2P 466.428000 |
ZPJCZLODCAFWCM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538067; PubChem:CID71478547
|
Local ready
Direct docking supported
|
|
E3L024024
BDB024024
|
BDBM538068
O=c1[nH]nc(Cc2ccc(F)c(P3(=O)CCN(c4cc(C(F)(F)F)ccn4)CC3)c2)c2ccccc12
|
C25H21F4N4O2P 516.435000 |
ULZDZCZIIPHOON-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538068; PubChem:CID71478623
|
Local ready
Direct docking supported
|
|
E3L024025
BDB024025
|
BDBM538069
O=c1[nH]nc(Cc2ccc(F)c(P3(=O)CCN(c4ncccc4C(F)(F)F)CC3)c2)c2ccccc12
|
C25H21F4N4O2P 516.435000 |
OGPXWZVFXJOYPQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538069; PubChem:CID71478620
|
Local ready
Direct docking supported
|
|
E3L024026
BDB024026
|
BDBM538070
O=c1[nH]nc(Cc2ccc(F)c(P3(=O)CCN(c4ncc(F)cc4F)CC3)c2)c2ccccc12
|
C24H20F3N4O2P 484.418000 |
ZHSPDLMSKOGJLI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538070; PubChem:CID71478624
|
Local ready
Direct docking supported
|
|
E3L024027
BDB024027
|
BDBM538071
O=c1[nH]nc(Cc2ccc(F)c(P3(=O)CCN(c4ncc5ccccc5n4)CC3)c2)c2ccccc12
|
C27H23FN5O2P 499.486000 |
YVQPBFIMZZVYHO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538071; PubChem:CID71478730
|
Local ready
Direct docking supported
|
|
E3L024028
BDB024028
|
BDBM538072
O=c1[nH]nc(Cc2ccc(F)c(P3(=O)CCN(c4cccc(C(F)(F)F)n4)CC3)c2)c2ccccc12
|
C25H21F4N4O2P 516.435000 |
AXCPPEQJUQHLQE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538072; PubChem:CID71478622
|
Local ready
Direct docking supported
|
|
E3L024029
BDB024029
|
BDBM538073
CC(=O)c1cccnc1N1CCP(=O)(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C26H24FN4O3P 490.475000 |
QGZYLSWOIIBOAP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538073; PubChem:CID71478817
|
Local ready
Direct docking supported
|
|
E3L024030
BDB024030
|
BDBM538074
CC(O)c1cccnc1N1CCP(=O)(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C26H26FN4O3P 492.491000 |
ZKZXUFZBTNTAST-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538074; PubChem:CID71478733
|
Local ready
Direct docking supported
|
|
E3L024031
BDB024031
|
BDBM538075
O=c1[nH]nc(Cc2ccc(F)c(P3(=O)CCN(c4ncc(Cl)cn4)CC3)c2)c2ccccc12
|
C23H20ClFN5O2P 483.871000 |
ZFSJVFAMFDZVPQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538075; PubChem:CID71478734
|
Local ready
Direct docking supported
|
|
E3L024032
BDB024032
|
BDBM538076
CCCc1cnc(N2CCP(=O)(c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)nc1
|
C26H27FN5O2P 491.507000 |
IXFDPFHDABHEOA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538076; PubChem:CID71478819
|
Local ready
Direct docking supported
|
|
E3L024033
BDB024033
|
BDBM538077
O=c1[nH]nc(Cc2ccc(F)c(P3(=O)CCN(C4CC4)CC3)c2)c2ccccc12
|
C22H23FN3O2P 411.417000 |
ZDNVVHNCZXULOK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538077; PubChem:CID71076659
|
Local ready
Direct docking supported
|
|
E3L024034
BDB024034
|
BDBM538078
O=c1[nH]nc(Cc2ccc(F)c(P3(=O)CCN(C4CCC4)CC3)c2)c2ccccc12
|
C23H25FN3O2P 425.444000 |
MWHISZFIZRADQG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538078; PubChem:CID71478820
|
Local ready
Direct docking supported
|
|
E3L024035
BDB024035
|
BDBM538079
CCN1CCP(=O)(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C21H23FN3O2P 399.406000 |
YDFDIJNHCXQZJC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538079; PubChem:CID71078113
|
Local ready
Direct docking supported
|
|
E3L024036
BDB024036
|
BDBM538081
CC(C)N1CCP(=O)(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C22H25FN3O2P 413.433000 |
BGPIOJFNBIPFOU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538081; PubChem:CID71478821
|
Local ready
Direct docking supported
|
|
E3L024037
BDB024037
|
BDBM538082
O=c1[nH]nc(Cc2ccc(F)c(P3(=O)CCN(CC4CC4)CC3)c2)c2ccccc12
|
C23H25FN3O2P 425.444000 |
ZXKVRUWVABXLQD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538082; PubChem:CID71478882
|
Local ready
Direct docking supported
|
|
E3L024038
BDB024038
|
BDBM538083
CC(C)CN1CCP(=O)(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C23H27FN3O2P 427.460000 |
HVNVSIFJDWYBMH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538083; PubChem:CID71078327
|
Local ready
Direct docking supported
|
|
E3L024039
BDB024039
|
BDBM538084
CCCP1(O)(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CCNCC1
|
C22H27FN3O2P 415.449000 |
MFORHZCLNYDLCI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538084; PubChem:CID156133876
|
Local ready
Direct docking supported
|
|
E3L024040
BDB024040
|
BDBM538085
CC(C)(C)CN1CCP(=O)(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C24H29FN3O2P 441.487000 |
VJEYZPXJYOBXBA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538085; PubChem:CID71478881
|
Local ready
Direct docking supported
|