| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050741
BDB050741
|
BDBM50276710
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(C2CCCCCC2)CC1
|
C27H30F2N4O2 480.559000 |
DFOMQFOZNZGFCW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276710; PubChem:CID145962719
|
Local ready
Direct docking supported
|
|
E3L050742
BDB050742
|
BDBM50276711
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(c2ccc(F)cc2)CC1
|
C26H21F3N4O2 478.474000 |
CZMMXKOJPIMYSP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276711; PubChem:CID145955549
|
Local ready
Direct docking supported
|
|
E3L050743
BDB050743
|
BDBM50276712
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(c2ccc(Br)cc2)CC1
|
C26H21BrF2N4O2 539.380000 |
KWOPITOCSPLSIA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276712; PubChem:CID145963312
|
Local ready
Direct docking supported
|
|
E3L050744
BDB050744
|
BDBM50276713
N#Cc1ccc(N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)cc(F)c3F)CC2)cc1
|
C27H21F2N5O2 485.494000 |
HLUAOAJVVJSGIK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276713; PubChem:CID145957654
|
Local ready
Direct docking supported
|
|
E3L050745
BDB050745
|
BDBM50276714
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1
|
C27H21F5N4O2 528.481000 |
AIOJTZBHILUVKS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276714; PubChem:CID145972651
|
Local ready
Direct docking supported
|
|
E3L050746
BDB050746
|
BDBM50276715
Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)cc(F)c2F)CC1
|
C27H23ClF2N4O2 508.956000 |
OLZVMHHRZIAOJY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276715; PubChem:CID145957093
|
Local ready
Direct docking supported
|
|
E3L050747
BDB050747
|
BDBM50276721
Cc1ccc(N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)cc(F)c3F)CC2)cc1
|
C27H24F2N4O2 474.511000 |
TYHGHUDZORNYSG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276721; PubChem:CID145960349
|
Local ready
Direct docking supported
|
|
E3L050748
BDB050748
|
BDBM50276722
COc1ccc(N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)cc(F)c3F)CC2)cc1
|
C27H24F2N4O3 490.510000 |
TYECQHFUCGPTEK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276722; PubChem:CID145952629
|
Local ready
Direct docking supported
|
|
E3L050749
BDB050749
|
BDBM50276723
COc1ccccc1N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)cc(F)c2F)CC1
|
C27H24F2N4O3 490.510000 |
FRCRMQRDDHQKDM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276723; PubChem:CID145974068
|
Local ready
Direct docking supported
|
|
E3L050750
BDB050750
|
BDBM50276724
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(c2ccncc2)CC1
|
C25H21F2N5O2 461.472000 |
XADFARDCBHFGPC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276724; PubChem:CID145963753
|
Local ready
Direct docking supported
|
|
E3L050751
BDB050751
|
BDBM50276738
N#Cc1cccnc1N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)cc(F)c2F)CC1
|
C26H20F2N6O2 486.482000 |
AKIZEYGVQGBATQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276738; PubChem:CID145951891
|
Local ready
Direct docking supported
|
|
E3L050752
BDB050752
|
BDBM50276739
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(c2ncccn2)CC1
|
C24H20F2N6O2 462.460000 |
QQEWTJFAOHZQGT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276739; PubChem:CID145977464
|
Local ready
Direct docking supported
|
|
E3L050753
BDB050753
|
BDBM50276740
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
|
C25H19F5N6O2 530.457000 |
CZSDSXBHSPVLMP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276740; PubChem:CID145955367
|
Local ready
Direct docking supported
|
|
E3L050754
BDB050754
|
BDBM50276741
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(c2nccs2)CC1
|
C23H19F2N5O2S 467.501000 |
BPCIWLGINCOGSS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276741; PubChem:CID145959884
|
Local ready
Direct docking supported
|
|
E3L050755
BDB050755
|
BDBM50276742
CCN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)cc(F)c2F)CC1
|
C22H22F2N4O2 412.440000 |
PMTQLEDSQKFNJU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276742; PubChem:CID145959173
|
Local ready
Direct docking supported
|
|
E3L050756
BDB050756
|
BDBM50276743
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(Cc2cccnc2)CC1
|
C26H23F2N5O2 475.499000 |
LDFPYOKZRJVMCS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276743; PubChem:CID145950109
|
Local ready
Direct docking supported
|
|
E3L050757
BDB050757
|
BDBM50276744
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(c2cccc(Cl)c2)CC1
|
C26H21ClF2N4O2 494.929000 |
PSTCHCLKBWHPBR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276744; PubChem:CID145954095
|
Local ready
Direct docking supported
|
|
E3L050758
BDB050758
|
BDBM50276745
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(c2ncc(Br)cn2)CC1
|
C24H19BrF2N6O2 541.356000 |
KCBTXDVQOFFVQV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276745; PubChem:CID145956224
|
Local ready
Direct docking supported
|
|
E3L050759
BDB050759
|
BDBM50276749
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(c2ccccc2)CC1
|
C26H22F2N4O2 460.484000 |
CKYHVZDCEUOXAY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276749; PubChem:CID145962718
|
Local ready
Direct docking supported
|
|
E3L050760
BDB050760
|
BDBM50276750
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(c2ccc(O)cc2)CC1
|
C26H22F2N4O3 476.483000 |
ZBWRKNNBIORPLE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276750; PubChem:CID145954997
|
Local ready
Direct docking supported
|