| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L057641
BDB057641
|
BDBM50486656
O=C(c1ccc2[nH]c(=O)c3c(c2c1)CCSC3)N1CCNCC1
|
C17H19N3O2S 329.425000 |
LUAUXPRCGZVXQX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50486656; PubChem:CID42605896
|
Local ready
Direct docking supported
|
|
E3L057642
BDB057642
|
BDBM50486657
O=C(c1ccc2[nH]c(=O)c3c(c2c1)CCSC3)N1CCCCC1
|
C18H20N2O2S 328.437000 |
CADSCJFLKDKUMP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50486657; PubChem:CID42606131
|
Local ready
Direct docking supported
|
|
E3L057643
BDB057643
|
BDBM50486658
O=C(NCCN1CCN(c2ccccc2)CC1)c1ccc2[nH]c(=O)c3c(c2c1)CCSC3
|
C25H28N4O2S 448.592000 |
CXUZVHGEPSQTHB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50486658; PubChem:CID42606596
|
Local ready
Direct docking supported
|
|
E3L057644
BDB057644
|
BDBM50486659
O=C(NCCN1CCCCC1)c1ccc2[nH]c(=O)c3c(c2c1)CCSC3
|
C20H25N3O2S 371.506000 |
NUOLCLUVCHILQU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50486659; PubChem:CID76319007
|
Local ready
Direct docking supported
|
|
E3L057645
BDB057645
|
BDBM50486660
NCCCCNC(=O)c1ccc2[nH]c(=O)c3c(c2c1)CCSC3
|
C17H21N3O2S 331.441000 |
MXUPFHQBLHCIJD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50486660; PubChem:CID70264499
|
Local ready
Direct docking supported
|
|
E3L057646
BDB057646
|
BDBM50486661
NCCCNC(=O)c1ccc2[nH]c(=O)c3c(c2c1)CCSC3
|
C16H19N3O2S 317.414000 |
PVEQRFQEDRJHID-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50486661; PubChem:CID42606476
|
Local ready
Direct docking supported
|
|
E3L057647
BDB057647
|
BDBM50486662
CC(C)CCN1CCN(C(=O)c2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1
|
C22H29N3O2S 399.560000 |
QTVLEYHUUFMEQW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50486662; PubChem:CID42606478
|
Local ready
Direct docking supported
|
|
E3L057648
BDB057648
|
BDBM50486663
O=C(NCCN1CCNCC1)c1ccc2[nH]c(=O)c3c(c2c1)CCSC3
|
C19H24N4O2S 372.494000 |
BJJLVHMACGVSRC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50486663; PubChem:CID42606011
|
Local ready
Direct docking supported
|
|
E3L057649
BDB057649
|
BDBM50486664
NCCNC(=O)c1ccc2[nH]c(=O)c3c(c2c1)CCSC3
|
C15H17N3O2S 303.387000 |
MJLAGSXFWMJQNH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50486664; PubChem:CID76308159
|
Local ready
Direct docking supported
|
|
E3L057650
BDB057650
|
BDBM50486665
O=C(c1ccc2[nH]c(=O)c3c(c2c1)CCSC3)N1CCN(C2CCCCC2)CC1
|
C23H29N3O2S 411.571000 |
KGYGBVXXTVOCBW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50486665; PubChem:CID42606602
|
Local ready
Direct docking supported
|
|
E3L057651
BDB057651
|
BDBM50486666
O=C(c1ccc2[nH]c(=O)c3c(c2c1)CCSC3)N1CCN(c2ccccc2)CC1
|
C23H23N3O2S 405.523000 |
NQOZWJIUZXXYSS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50486666; PubChem:CID42606017
|
Local ready
Direct docking supported
|
|
E3L057652
BDB057652
|
BDBM50486667
O=C(c1ccc2[nH]c(=O)c3c(c2c1)CCSC3)N1CCN(CCCC(F)(F)F)CC1
|
C21H24F3N3O2S 439.503000 |
YLSFUZGVNLOKRH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50486667
|
Local ready
Direct docking supported
|
|
E3L057653
BDB057653
|
BDBM50486668
CN1CCN(C(=O)c2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1
|
C18H21N3O2S 343.452000 |
CHVXRAFSZPMVNU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50486668; PubChem:CID42606133
|
Local ready
Direct docking supported
|
|
E3L057654
BDB057654
|
BDBM50486669
O=C(NCCN1CCN(c2ccncc2)CC1)c1ccc2[nH]c(=O)c3c(c2c1)CCSC3
|
C24H27N5O2S 449.580000 |
DBFJBTVRSZKKTR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50486669; PubChem:CID42606362
|
Local ready
Direct docking supported
|
|
E3L057655
BDB057655
|
BDBM50486670
O=C(c1ccc2[nH]c(=O)c3c(c2c1)CCSC3)N1CCN(C2CCCCCC2)CC1
|
C24H31N3O2S 425.598000 |
APDLODMGSNZNGW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50486670; PubChem:CID42606708
|
Local ready
Direct docking supported
|
|
E3L057656
BDB057656
|
BDBM50486671
CCCC(C)N1CCN(C(=O)c2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1
|
C22H29N3O2S 399.560000 |
OCAXSQKHIJNDMJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50486671; PubChem:CID42606249
|
Local ready
Direct docking supported
|
|
E3L057657
BDB057657
|
BDBM50486672
CCOC(=O)c1ccc2[nH]c(=O)c3c(c2c1)CCSC3
|
C15H15NO3S 289.356000 |
WHNQFCLGRXXBID-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50486672; PubChem:CID42605667
|
Local ready
Direct docking supported
|
|
E3L057658
BDB057658
|
BDBM50486805
CC(C)O[C@H](Cc1ccc(OCc2noc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1)C(=O)O
|
C23H20F6N2O5 518.410000 |
POVZJFCCQNWRJN-GOSISDBHSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50486805; PubChem:CID76319010
|
Local ready
Direct docking supported
|
|
E3L057659
BDB057659
|
BDBM50486806
CC(C)O[C@@H](Cc1ccc(OCc2noc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1)C(=O)O
|
C23H20F6N2O5 518.410000 |
POVZJFCCQNWRJN-SFHVURJKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50486806; PubChem:CID76311770
|
Local ready
Direct docking supported
|
|
E3L057660
BDB057660
|
BDBM50486807
Cc1oc(-c2cccc[s+]2)nc1CCOc1ccc(C[C@@](C)(Oc2ccccc2)C(=O)O)cc1
|
C27H26NO5S+ 476.574000 |
QBGPJSSNXMJLKU-HHHXNRCGSA-O | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50486807; PubChem:CID136264517
|
Local ready
Direct docking supported
|