| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L009321
BDB009321
|
BDBM214421
CN(C)CCN(C)C(=O)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
|
C20H26FN5O2 387.459000 |
IJVCVPAVCXQIGU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214421; PubChem:CID25122609
|
Local ready
Direct docking supported
|
|
E3L009322
BDB009322
|
BDBM214422
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(Cc2cccc(Cl)c2)CC1
|
C27H28ClFN4O2 494.998000 |
ZTUPOUBXNCOFIA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214422; PubChem:CID69317732
|
Local ready
Direct docking supported
|
|
E3L009323
BDB009323
|
BDBM214425
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(Cc2ccccc2Cl)CC1
|
C27H28ClFN4O2 494.998000 |
HKOAHEGECHKWTM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214425; PubChem:CID69321066
|
Local ready
Direct docking supported
|
|
E3L009324
BDB009324
|
BDBM214426
NC(=O)C1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)C1
|
C21H24FN5O3 413.453000 |
JXOMBJIVTURHDR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214426; PubChem:CID25122973
|
Local ready
Direct docking supported
|
|
E3L009325
BDB009325
|
BDBM214428
O=C(c1ccco1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C25H25FN4O4 464.497000 |
FKBLMORFHXJIDR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214428; PubChem:CID69321833
|
Local ready
Direct docking supported
|
|
E3L009326
BDB009326
|
BDBM214430
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(c2ccc(F)cc2F)CC1
|
C26H25F3N4O2 482.506000 |
DYRVEAVHLLWREM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214430; PubChem:CID69323934
|
Local ready
Direct docking supported
|
|
E3L009327
BDB009327
|
BDBM214431
O=C(c1ccccc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C27H27FN4O3 474.536000 |
HXTYAPTXRNXYKA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214431; PubChem:CID69321061
|
Local ready
Direct docking supported
|
|
E3L009328
BDB009328
|
BDBM214432
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(C(=O)N2CCCCC2)CC1
|
C25H31FN6O3 482.560000 |
SFAXKYYMADUSJX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214432; PubChem:CID69323249
|
Local ready
Direct docking supported
|
|
E3L009329
BDB009329
|
BDBM214433
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(c2cccc(F)c2)CC1
|
C26H26F2N4O2 464.516000 |
LKFNJROMEGEQGE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214433; PubChem:CID69321798
|
Local ready
Direct docking supported
|
|
E3L009330
BDB009330
|
BDBM214436
CCN(CC)C(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C25H32FN5O3 469.561000 |
CGAKPXWYSLQMHU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214436; PubChem:CID69320962
|
Local ready
Direct docking supported
|
|
E3L009331
BDB009331
|
BDBM214437
CC(C)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C23H29FN4O2 412.509000 |
SIAMUZKKFKRSAU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214437; PubChem:CID69323815
|
Local ready
Direct docking supported
|
|
E3L009332
BDB009332
|
BDBM214438
O=C(CN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1)N1CCCC1
|
C25H31FN6O3 482.560000 |
BKMSFVMGGNEIDT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214438; PubChem:CID25122974
|
Local ready
Direct docking supported
|
|
E3L009333
BDB009333
|
BDBM214439
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(C(=O)N2CCOCC2)CC1
|
C25H30FN5O4 483.544000 |
HCCAPOWPOYHXAW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214439; PubChem:CID69319593
|
Local ready
Direct docking supported
|
|
E3L009334
BDB009334
|
BDBM214440
NC(=O)C1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C21H24FN5O3 413.453000 |
KKUZINIKYNTGLE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214440; PubChem:CID25122975
|
Local ready
Direct docking supported
|
|
E3L009335
BDB009335
|
BDBM214441
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(CCO)CC1
|
C21H26FN5O3 415.469000 |
UKPVYBFKFASODI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214441; PubChem:CID25122976
|
Local ready
Direct docking supported
|
|
E3L009336
BDB009336
|
BDBM214442
O=C(CN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1)N1CCCC1
|
C26H32FN5O3 481.572000 |
KJVJRDAODKRGAI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214442; PubChem:CID69323605
|
Local ready
Direct docking supported
|
|
E3L009337
BDB009337
|
BDBM214443
CC(C)NC(=O)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C19H23FN4O2 358.417000 |
XKGQECQXYZMTBW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214443; PubChem:CID69323973
|
Local ready
Direct docking supported
|
|
E3L009338
BDB009338
|
BDBM214444
CCCNC(=O)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C19H23FN4O2 358.417000 |
FWEIBKWGJGKXHE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214444; PubChem:CID69319456
|
Local ready
Direct docking supported
|
|
E3L009339
BDB009339
|
BDBM214445
O=C(Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)NC1CCCC1
|
C21H25FN4O2 384.455000 |
LVHYWHCMWOBGGO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214445; PubChem:CID69319570
|
Local ready
Direct docking supported
|
|
E3L009340
BDB009340
|
BDBM214446
O=C(Nc1ccc(F)cc1F)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C22H19F3N4O2 428.414000 |
OOHJTBPQCPYEKE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214446; PubChem:CID69323424
|
Local ready
Direct docking supported
|