| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L058041
BDB058041
|
BDBM50501861
NC(=O)c1cccc2c1O/C(=C\c1ccc(N3CCN(Cc4ccccc4)CC3)cc1)C2=O
|
C27H25N3O3 439.515000 |
MPFIEXJVYWZRIT-ULJHMMPZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501861; PubChem:CID155535784
|
Local ready
Direct docking supported
|
|
E3L058042
BDB058042
|
BDBM50501862
Cn1nnc(-c2ccc(/C=C3\Oc4c(C(N)=O)cccc4C3=O)cc2)n1
|
C18H13N5O3 347.334000 |
WZDFRBODSHYHBJ-ZROIWOOFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501862; PubChem:CID155541970
|
Local ready
Direct docking supported
|
|
E3L058043
BDB058043
|
BDBM50501863
NC(=O)c1cccc2c1O/C(=C\c1ccc(C(=O)N3CCN(c4ccccn4)CC3)cc1)C2=O
|
C26H22N4O4 454.486000 |
KQOQDIKBNSEGTC-PGMHBOJBSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501863; PubChem:CID155565373
|
Local ready
Direct docking supported
|
|
E3L058044
BDB058044
|
BDBM50501864
NC(=O)c1cccc2c1O/C(=C\c1ccc(C(=O)N3CCN(c4nnc(C(F)(F)F)s4)CC3)cc1)C2=O
|
C24H18F3N5O4S 529.500000 |
XJPJZNWCAKLHFB-ATVHPVEESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501864; PubChem:CID155552728
|
Local ready
Direct docking supported
|
|
E3L058045
BDB058045
|
BDBM50501865
N#Cc1cccnc1N1CCN(C(=O)c2ccc(/C=C3\Oc4c(C(N)=O)cccc4C3=O)cc2)CC1
|
C27H21N5O4 479.496000 |
AGAWTSDPKIHKEU-JCMHNJIXSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501865; PubChem:CID155523123
|
Local ready
Direct docking supported
|
|
E3L058046
BDB058046
|
BDBM50501866
COC(=O)c1cnc(N2CCN(C(=O)c3ccc(/C=C4\Oc5c(C(N)=O)cccc5C4=O)cc3)CC2)nc1
|
C27H23N5O6 513.510000 |
VZSJUSIMBFSOKB-BKUYFWCQSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501866; PubChem:CID155545037
|
Local ready
Direct docking supported
|
|
E3L058047
BDB058047
|
BDBM50501867
COc1ccnc(N2CCN(C(=O)c3cccc(/C=C4\Oc5c(C(N)=O)cccc5C4=O)c3)CC2)n1
|
C26H23N5O5 485.500000 |
YSIDYJROJOQGET-HKWRFOASSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501867; PubChem:CID155517403
|
Local ready
Direct docking supported
|
|
E3L058048
BDB058048
|
BDBM50501868
NC(=O)c1cccc2c1O/C(=C\c1ccc(C(=O)NC3CCN(c4ncccn4)CC3)cc1)C2=O
|
C26H23N5O4 469.501000 |
PABFQAMQVZLSPS-QNGOZBTKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501868; PubChem:CID155536588
|
Local ready
Direct docking supported
|
|
E3L058049
BDB058049
|
BDBM50501869
NC(=O)c1cccc2c1O/C(=C\c1ccc(C(=O)N3CCC(c4ncccn4)CC3)cc1)C2=O
|
C26H22N4O4 454.486000 |
CCKJHBHIRACRHP-QNGOZBTKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501869; PubChem:CID155530382
|
Local ready
Direct docking supported
|
|
E3L058050
BDB058050
|
BDBM50501870
NC(=O)c1cccc2c1O/C(=C\c1ccc(C(=O)N3CCn4c(Cc5cccc(F)c5)nnc4C3)cc1)C2=O
|
C29H22FN5O4 523.524000 |
CIRFJDIMELYXKB-UCQKPKSFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501870; PubChem:CID155526501
|
Local ready
Direct docking supported
|
|
E3L058051
BDB058051
|
BDBM50501871
NC(=O)c1cccc2c1O/C(=C\c1ccc(C(=O)N3CCn4c(CO)nnc4C3)cc1)C2=O
|
C23H19N5O5 445.435000 |
RGBOTRYZNGKYII-YVLHZVERSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501871; PubChem:CID155534031
|
Local ready
Direct docking supported
|
|
E3L058052
BDB058052
|
BDBM50501872
NC(=O)c1cccc2c1O/C(=C\c1cccc(C(=O)N3CCn4cnnc4C3)c1)C2=O
|
C22H17N5O4 415.409000 |
TXUGMQHQKCOZTL-YVLHZVERSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501872; PubChem:CID155551959
|
Local ready
Direct docking supported
|
|
E3L058053
BDB058053
|
BDBM50501873
NC(=O)c1cccc2c1O/C(=C\c1ccc(C(=O)NCCc3nc4ccccc4[nH]3)cc1)C2=O
|
C26H20N4O4 452.470000 |
UNPLREWLHBUEMG-STZFKDTASA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501873; PubChem:CID138857416
|
Local ready
Direct docking supported
|
|
E3L058054
BDB058054
|
BDBM50501874
NC(=O)c1cccc2c1O/C(=C\c1cccc(C(=O)NCCc3nc4ccccc4[nH]3)c1)C2=O
|
C26H20N4O4 452.470000 |
YUGPMHBCTWCTLL-STZFKDTASA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501874; PubChem:CID155552891
|
Local ready
Direct docking supported
|
|
E3L058055
BDB058055
|
BDBM50501875
NC(=O)c1cccc2c1O/C(=C\c1ccc(C(=O)NCCCc3nc4ccccc4[nH]3)cc1)C2=O
|
C27H22N4O4 466.497000 |
QDZDHZKATXAMLS-JCMHNJIXSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501875; PubChem:CID155549045
|
Local ready
Direct docking supported
|
|
E3L058056
BDB058056
|
BDBM50501876
CN1CCN(c2ccc(/C=C3\Oc4c(C(N)=O)cccc4C3=O)cc2)CC1
|
C21H21N3O3 363.417000 |
PUEWTSRRADWACB-AQTBWJFISA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501876; PubChem:CID155536947
|
Local ready
Direct docking supported
|
|
E3L058057
BDB058057
|
BDBM50501877
NC(=O)c1cccc2c1O/C(=C\c1ccc(C(=O)O)cc1)C2=O
|
C17H11NO5 309.277000 |
DJONVZCTJZGPQX-JYRVWZFOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501877; PubChem:CID155569264
|
Local ready
Direct docking supported
|
|
E3L058058
BDB058058
|
BDBM50501878
NC(=O)c1cccc2c1O/C(=C\c1ccc(C(=O)N3CCN(c4ccccc4)CC3)cc1)C2=O
|
C27H23N3O4 453.498000 |
XHXRUKBLRBCDNO-QJOMJCCJSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501878; PubChem:CID155559030
|
Local ready
Direct docking supported
|
|
E3L058059
BDB058059
|
BDBM50501879
NC(=O)c1cccc2c1O/C(=C\c1cccc(C(=O)N3CCN(c4cnccn4)CC3)c1)C2=O
|
C25H21N5O4 455.474000 |
WEQXBZKVHWVNHQ-ZHZULCJRSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501879; PubChem:CID155566057
|
Local ready
Direct docking supported
|
|
E3L058060
BDB058060
|
BDBM50501880
NC(=O)c1cccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O
|
C22H15NO3 341.366000 |
QLJBCQSTZYBROL-UYRXBGFRSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501880; PubChem:CID155523486
|
Local ready
Direct docking supported
|