| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L012221
BDB012221
|
BDBM259567
N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)CCCc3nc4ccccc4c(=O)[nH]3)CC2)cc1
|
C25H26N4O3 430.508000 |
QZHUFUOXNJRYML-KESTWPANSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259567
|
Local ready
Direct docking supported
|
|
E3L012222
BDB012222
|
BDBM259568
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](Oc2ccc(Cl)cc2)CC1
|
C24H26ClN3O3 439.943000 |
ZJAQFWFBBDESAQ-UAPYVXQJSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259568
|
Local ready
Direct docking supported
|
|
E3L012223
BDB012223
|
BDBM259569
O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](n2c(=O)oc3ccccc32)CC1
|
C24H24N4O4 432.480000 |
DPLIWMOJVZZKPZ-WKILWMFISA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259569
|
Local ready
Direct docking supported
|
|
E3L012224
BDB012224
|
BDBM259571
O=C(CCSc1nc2ccccc2c(=O)[nH]1)N1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1
|
C23H22ClN5O3S 483.981000 |
JXSGDVUWLNGDFI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259571; PubChem:CID136253193
|
Local ready
Direct docking supported
|
|
E3L012225
BDB012225
|
BDBM259572
O=C(CCSc1nc2ccccc2c(=O)[nH]1)N1CCC(c2nnc(-c3ccccc3)o2)CC1
|
C24H23N5O3S 461.547000 |
YIGLQGYCCCNBJG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259572; PubChem:CID136253188
|
Local ready
Direct docking supported
|
|
E3L012226
BDB012226
|
BDBM259574
O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](n2c(=O)[nH]c3cc(Cl)ccc32)CC1
|
C24H24ClN5O3 465.941000 |
AAGQBOZLMIXHHO-WKILWMFISA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259574
|
Local ready
Direct docking supported
|
|
E3L012227
BDB012227
|
BDBM259576
O=C(CSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](n2c(=O)[nH]c3cc(Cl)ccc32)CC1
|
C23H22ClN5O3S 483.981000 |
YTDAPYITALQSLF-SHTZXODSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259576
|
Local ready
Direct docking supported
|
|
E3L012228
BDB012228
|
BDBM259577
O=C(CCc1nc2c(c(=O)[nH]1)CCCN2)N[C@H]1CC[C@H](c2nnc(-c3ccccc3)o2)CC1
|
C24H28N6O3 448.527000 |
RXWZXVGCPOUNQT-QAQDUYKDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259577
|
Local ready
Direct docking supported
|
|
E3L012229
BDB012229
|
BDBM259578
O=C(CSc1nc2ccccc2c(=O)[nH]1)N1CCC(c2nnc(-c3ccccc3)o2)CC1
|
C23H21N5O3S 447.520000 |
WRWWRQVRBZBWSL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259578; PubChem:CID136253148
|
Local ready
Direct docking supported
|
|
E3L012230
BDB012230
|
BDBM259580
Nc1cc(=O)[nH]c(SCCC(=O)N[C@H]2CC[C@H](c3nnc(-c4ccccc4)o3)CC2)n1
|
C21H24N6O3S 440.529000 |
AANAXNPTHMWCLV-SHTZXODSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259580
|
Local ready
Direct docking supported
|
|
E3L012231
BDB012231
|
BDBM259581
O=C(CCSCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](c2nnc(-c3ccccc3)o2)CC1
|
C26H27N5O3S 489.601000 |
HXWKRLPCYVNDNE-WGSAOQKQSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259581
|
Local ready
Direct docking supported
|
|
E3L012232
BDB012232
|
BDBM259582
O=C(CCSCc1nc2ccccc2c(=O)[nH]1)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1
|
C25H24FN5O3S 493.564000 |
HMWZLZHSWIOIGV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259582; PubChem:CID136628956
|
Local ready
Direct docking supported
|
|
E3L012233
BDB012233
|
BDBM259583
O=C(CCSc1nc2ccccc2c(=O)[nH]1)N1CCN(c2n[nH]c3ccccc23)CC1
|
C22H22N6O2S 434.525000 |
XWXLFXATFVYHPX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259583; PubChem:CID136253125
|
Local ready
Direct docking supported
|
|
E3L012234
BDB012234
|
BDBM259584
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](c2ncc(-c3ccccc3)o2)CC1
|
C27H28N4O3 456.546000 |
MPQCBOWATMYRKR-MXVIHJGJSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259584
|
Local ready
Direct docking supported
|
|
E3L012235
BDB012235
|
BDBM259585
O=C(CSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](c2nnc(-c3ccccc3)o2)CC1
|
C24H23N5O3S 461.547000 |
PAMUWGVDNNJVJY-QAQDUYKDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259585
|
Local ready
Direct docking supported
|
|
E3L012236
BDB012236
|
BDBM259586
O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCC(c2nnc(-c3ccccc3)o2)CC1
|
C24H23N5O3 429.480000 |
XZTBVJZEZAGWMB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259586; PubChem:CID136253123
|
Local ready
Direct docking supported
|
|
E3L012237
BDB012237
|
BDBM259589
O=C(CCc1nc2ccc(F)cc2c(=O)[nH]1)N[C@H]1CC[C@H](c2nnc(-c3ccccc3)o2)CC1
|
C25H24FN5O3 461.497000 |
QONNTUSBURAFST-SAABIXHNSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259589
|
Local ready
Direct docking supported
|
|
E3L012238
BDB012238
|
BDBM259590
O=C(CSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](n2c(=O)[nH]c3ccc(Cl)cc32)CC1
|
C23H22ClN5O3S 483.981000 |
ORMXFDLXICVSQJ-SHTZXODSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259590
|
Local ready
Direct docking supported
|
|
E3L012239
BDB012239
|
BDBM259592
N#Cc1ccc2c(c1)[nH]c(=O)n2[C@H]1CC[C@H](NC(=O)CCSc2nc3ccccc3c(=O)[nH]2)CC1
|
C25H24N6O3S 488.573000 |
ZTIZYNDBJGONBV-QAQDUYKDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259592
|
Local ready
Direct docking supported
|
|
E3L012240
BDB012240
|
BDBM259593
O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](Oc2ccc(Cl)cc2)CC1
|
C23H24ClN3O3S 457.983000 |
CFKUCYZMLBDUOB-SAABIXHNSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259593
|
Local ready
Direct docking supported
|