| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047581
BDB047581
|
BDBM50177445
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCc2ccccc2C1
|
C25H21N3O2 395.462000 |
UGWDTCXOFKDISL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177445; PubChem:CID44407537
|
Local ready
Direct docking supported
|
|
E3L047582
BDB047582
|
BDBM50177446
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCCN(CC2CC2)CC1
|
C25H27FN4O2 434.515000 |
KXDRLFHCQVYWMZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177446; PubChem:CID44408065
|
Local ready
Direct docking supported
|
|
E3L047583
BDB047583
|
BDBM50177447
CC1CCN(C(=O)C2CCN(C(=O)c3cccc(Cc4n[nH]c(=O)c5ccccc45)c3)CC2)CC1
|
C28H32N4O3 472.589000 |
UXMQGUWWKPXHEB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177447; PubChem:CID44407794
|
Local ready
Direct docking supported
|
|
E3L047584
BDB047584
|
BDBM50177448
CCOC(=O)C1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1
|
C24H25N3O4 419.481000 |
DDRBFQXVOGSUOV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177448; PubChem:CID44407559
|
Local ready
Direct docking supported
|
|
E3L047585
BDB047585
|
BDBM50177450
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
|
C28H25F3N4O4S 570.593000 |
DUNFCSVVYLORHX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177450; PubChem:CID44407572
|
Local ready
Direct docking supported
|
|
E3L047586
BDB047586
|
BDBM50177451
CCCN1CCCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1
|
C24H28N4O2 404.514000 |
PHCBTLDDOYDHMH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177451; PubChem:CID44407937
|
Local ready
Direct docking supported
|
|
E3L047587
BDB047587
|
BDBM50177452
COc1cc(C(=O)N2CCCN(C(=O)c3cccc(Cc4n[nH]c(=O)c5ccccc45)c3)CC2)cc(Cl)n1
|
C28H26ClN5O4 532.000000 |
WXMMBJPQQUVNMB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177452; PubChem:CID44408115
|
Local ready
Direct docking supported
|
|
E3L047588
BDB047588
|
BDBM50177453
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1
|
C33H30N4O4S 578.694000 |
WEYRKSAFPKQVCJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177453; PubChem:CID44407531
|
Local ready
Direct docking supported
|
|
E3L047589
BDB047589
|
BDBM50177454
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCC(C(=O)N2CCCCC2)CC1
|
C27H30N4O3 458.562000 |
RKINOMQLJHXZPW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177454; PubChem:CID44407483
|
Local ready
Direct docking supported
|
|
E3L047590
BDB047590
|
BDBM50177456
CC(C)CNC(=O)C1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1
|
C26H30N4O3 446.551000 |
FEQIPHBKOMDKNA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177456; PubChem:CID44407570
|
Local ready
Direct docking supported
|
|
E3L047591
BDB047591
|
BDBM50177457
COc1cccc(CCC(=O)N2CCCN(C(=O)c3cccc(Cc4n[nH]c(=O)c5ccccc45)c3)CC2)c1
|
C31H32N4O4 524.621000 |
WWVJBOVXGHBKEI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177457; PubChem:CID44408111
|
Local ready
Direct docking supported
|
|
E3L047592
BDB047592
|
BDBM50177458
CCCN1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C24H27FN4O2 422.504000 |
YEVWEVZCZZLCDV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177458; PubChem:CID44407931
|
Local ready
Direct docking supported
|
|
E3L047593
BDB047593
|
BDBM50177459
COc1cc2c(cc1OC)CN(C(=O)C1CCN(C(=O)c3cccc(Cc4n[nH]c(=O)c5ccccc45)c3)CC1)CC2
|
C33H34N4O5 566.658000 |
MVJIREYSPFNUQS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177459; PubChem:CID44407532
|
Local ready
Direct docking supported
|
|
E3L047594
BDB047594
|
BDBM50177460
COc1ccc(NC(=O)N2CCCN(C(=O)c3cccc(Cc4n[nH]c(=O)c5ccccc45)c3)CC2)cc1
|
C29H29N5O4 511.582000 |
SXPDWHYQPXJHIA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177460; PubChem:CID44408056
|
Local ready
Direct docking supported
|
|
E3L047595
BDB047595
|
BDBM50177461
CN1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C22H23FN4O2 394.450000 |
WOUFGRKLDBZDQW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177461; PubChem:CID44407888
|
Local ready
Direct docking supported
|
|
E3L047596
BDB047596
|
BDBM50177462
CCN1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C23H25FN4O2 408.477000 |
IZYDTQJGWHVRAI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177462; PubChem:CID44407895
|
Local ready
Direct docking supported
|
|
E3L047597
BDB047597
|
BDBM50177463
O=C(NCCc1cccs1)C1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1
|
C28H28N4O3S 500.624000 |
ZRMIXNRMFMEJKE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177463; PubChem:CID44407781
|
Local ready
Direct docking supported
|
|
E3L047598
BDB047598
|
BDBM50177464
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCCN(CC2CC2)CC1
|
C25H28N4O2 416.525000 |
XYVXRNDLTGYJFF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177464; PubChem:CID44407993
|
Local ready
Direct docking supported
|
|
E3L047599
BDB047599
|
BDBM50177465
CCC(C)CN(C)C(=O)C1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1
|
C28H34N4O3 474.605000 |
VUNYVTPOYIXGBS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177465; PubChem:CID44407569
|
Local ready
Direct docking supported
|
|
E3L047600
BDB047600
|
BDBM50177466
CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1
|
C30H30N4O3 494.595000 |
UIZWWEQUPPQYDE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177466; PubChem:CID44407793
|
Local ready
Direct docking supported
|