| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052141
BDB052141
|
BDBM50314483
CCCCCN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1
|
C22H30N2O2S 386.561000 |
CUIDPGHBGSODLI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50314483; PubChem:CID42605457
|
Local ready
Direct docking supported
|
|
E3L052142
BDB052142
|
BDBM50314484
CC(C)CCN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1
|
C22H30N2O2S 386.561000 |
RIOGGQLIXYALOI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50314484; PubChem:CID42606718
|
Local ready
Direct docking supported
|
|
E3L052143
BDB052143
|
BDBM50314485
O=c1[nH]c2ccc(OC3CCN(CCO)CC3)cc2c2c1CSCC2
|
C19H24N2O3S 360.479000 |
ONOVMGPPBFMPEH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50314485; PubChem:CID46884129
|
Local ready
Direct docking supported
|
|
E3L052144
BDB052144
|
BDBM50314486
COCCN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1
|
C20H26N2O3S 374.506000 |
XVVPYEHDUIZLSH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50314486; PubChem:CID42606833
|
Local ready
Direct docking supported
|
|
E3L052145
BDB052145
|
BDBM50314487
O=c1[nH]c2ccc(OC3CCN(CCN4CCCCC4)CC3)cc2c2c1CSCC2
|
C24H33N3O2S 427.614000 |
NWXTZVNCIYJDII-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50314487; PubChem:CID42606835
|
Local ready
Direct docking supported
|
|
E3L052146
BDB052146
|
BDBM50314488
O=c1[nH]c2ccc(OC3CCN(c4ccccc4)CC3)cc2c2c1CSCC2
|
C23H24N2O2S 392.524000 |
FSHJFMGSDNUDQO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50314488; PubChem:CID42607064
|
Local ready
Direct docking supported
|
|
E3L052147
BDB052147
|
BDBM50314489
O=c1[nH]c2ccc(OC3CCN(Cc4ccccc4)CC3)cc2c2c1CSCC2
|
C24H26N2O2S 406.551000 |
SEPPFUUHMIHNJR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50314489; PubChem:CID42607061
|
Local ready
Direct docking supported
|
|
E3L052148
BDB052148
|
BDBM50314490
O=c1[nH]c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2c2c1CSCC2
|
C25H28N2O2S 420.578000 |
KRTTZUJTZCNRDG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50314490; PubChem:CID42607170
|
Local ready
Direct docking supported
|
|
E3L052149
BDB052149
|
BDBM50314491
CN(C)c1ccc(CCN2CCC(Oc3ccc4[nH]c(=O)c5c(c4c3)CCSC5)CC2)cc1
|
C27H33N3O2S 463.647000 |
NWIRJPXLBDDVLL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50314491; PubChem:CID46884210
|
Local ready
Direct docking supported
|
|
E3L052150
BDB052150
|
BDBM50314492
O=c1[nH]c2ccc(OC3CCCNC3)cc2c2c1CSCC2
|
C17H20N2O2S 316.426000 |
WLXRQZQAQHWPCW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50314492; PubChem:CID42606948
|
Local ready
Direct docking supported
|
|
E3L052151
BDB052151
|
BDBM50314493
CN1CCCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1
|
C18H22N2O2S 330.453000 |
QWPQGUCUHFBKJY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50314493; PubChem:CID42606950
|
Local ready
Direct docking supported
|
|
E3L052152
BDB052152
|
BDBM50314494
CCN1CCCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1
|
C19H24N2O2S 344.480000 |
PSMLCFXRXFWWAG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50314494; PubChem:CID42607057
|
Local ready
Direct docking supported
|
|
E3L052153
BDB052153
|
BDBM50314495
CCCN1CCCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1
|
C20H26N2O2S 358.507000 |
AVVYPTYKGGWLGP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50314495; PubChem:CID42606954
|
Local ready
Direct docking supported
|
|
E3L052154
BDB052154
|
BDBM50314496
CN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1
|
C17H20N2O2S 316.426000 |
MZMNVUWLVNEJLV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50314496; PubChem:CID42606952
|
Local ready
Direct docking supported
|
|
E3L052155
BDB052155
|
BDBM50314497
CCN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1
|
C18H22N2O2S 330.453000 |
DPQBVVMJSPVZFJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50314497; PubChem:CID42607059
|
Local ready
Direct docking supported
|
|
E3L052156
BDB052156
|
BDBM50314644
Cc1cc(Cl)c(OCCCc2ccc(CC(CN)C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)cc2)c(Cl)c1
|
C30H32Cl4N2O2 594.410000 |
HHFNUPNPOFOJPD-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50314644; PubChem:CID15981115
|
Local ready
Direct docking supported
|
|
E3L052157
BDB052157
|
BDBM50314645
COCCCc1ccc(Cl)c(CN(C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1
|
C34H41Cl3N2O3 632.072000 |
YYIOQINMOGBBMF-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50314645; PubChem:CID46883797
|
Local ready
Direct docking supported
|
|
E3L052158
BDB052158
|
BDBM50314646
COCCCc1ccc(Cl)c(CN(C(=O)[C@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1
|
C34H41Cl3N2O3 632.072000 |
YYIOQINMOGBBMF-MHZLTWQESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50314646; PubChem:CID46883798
|
Local ready
Direct docking supported
|
|
E3L052159
BDB052159
|
BDBM50314647
COCCOc1ccc(Cl)c(CN(C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1
|
C33H39Cl3N2O4 634.044000 |
OSMJTLDDZBOMDZ-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50314647; PubChem:CID46883799
|
Local ready
Direct docking supported
|
|
E3L052160
BDB052160
|
BDBM50314648
COCCc1ccc(Cl)c(CN(C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1
|
C33H39Cl3N2O3 618.045000 |
FLBRXCIMTTVIKZ-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50314648; PubChem:CID46883800
|
Local ready
Direct docking supported
|