| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051321
BDB051321
|
BDBM50296562
CN1CCCN(C(=O)NCCc2c[nH]c3ccc4c(c23)CCNC4=O)CC1
|
C20H27N5O2 369.469000 |
LWQWQCIGTFQIEH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50296562; PubChem:CID45268393
|
Local ready
Direct docking supported
|
|
E3L051322
BDB051322
|
BDBM50296563
O=C1NCCc2c1ccc1[nH]cc(CCNC(=O)N3CCCN(Cc4ccccc4)CC3)c21
|
C26H31N5O2 445.567000 |
RVBSZVJPQWPDBW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50296563; PubChem:CID45272650
|
Local ready
Direct docking supported
|
|
E3L051323
BDB051323
|
BDBM50296564
O=C1NCCc2c1ccc1[nH]cc(CCNC(=O)N3CCCNC(F)(F)C3)c21
|
C19H23F2N5O2 391.422000 |
ISKNTZZOIHSDKZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50296564; PubChem:CID45268394
|
Local ready
Direct docking supported
|
|
E3L051324
BDB051324
|
BDBM50296703
CC(Cc1ccc(Oc2cc(N3CCN(CC4CCCCC4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O
|
C31H39N5O4 545.684000 |
LBVSRLURJKZCBT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50296703; PubChem:CID45270070
|
Local ready
Direct docking supported
|
|
E3L051325
BDB051325
|
BDBM50296704
CC(Cc1ccc(Oc2cc(N3CCN(Cc4ccccc4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O
|
C31H33N5O4 539.636000 |
VHFPYVLKEYFCHH-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50296704; PubChem:CID25227445
|
Local ready
Direct docking supported
|
|
E3L051326
BDB051326
|
BDBM50296705
CC(Cc1ccc(Oc2cc(N3CCN(Cc4cccc5ccccc45)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O
|
C35H35N5O4 589.696000 |
RQJLZUFGGONNPD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50296705; PubChem:CID25261785
|
Local ready
Direct docking supported
|
|
E3L051327
BDB051327
|
BDBM50296706
CC(Cc1ccc(Oc2cc(N3CCN(Cc4ccc(C(C)(C)C)cc4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O
|
C35H41N5O4 595.744000 |
XSDHUMOXIOLBPZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50296706; PubChem:CID42613829
|
Local ready
Direct docking supported
|
|
E3L051328
BDB051328
|
BDBM50296707
Cc1cccc(CN2CCN(c3cc(Oc4ccc(CC(C)(Oc5ccccc5)C(=O)O)cc4)nc(N)n3)CC2)c1
|
C32H35N5O4 553.663000 |
MSAVXZXUNVFVGT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50296707; PubChem:CID25261937
|
Local ready
Direct docking supported
|
|
E3L051329
BDB051329
|
BDBM50296708
CC(Cc1ccc(Oc2cc(N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O
|
C32H32F3N5O4 607.633000 |
ISAYAZQESZCJCU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50296708; PubChem:CID25261938
|
Local ready
Direct docking supported
|
|
E3L051330
BDB051330
|
BDBM50296709
CC(Cc1ccc(Oc2cc(N3CCN(Cc4ccco4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O
|
C29H31N5O5 529.597000 |
RFJPDQMAQLEIQG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50296709; PubChem:CID45272617
|
Local ready
Direct docking supported
|
|
E3L051331
BDB051331
|
BDBM50296710
CC(Cc1ccc(Oc2cc(N3CCN(c4ccccc4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O
|
C30H31N5O4 525.609000 |
RIVZVTRQQCXZHU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50296710; PubChem:CID25262242
|
Local ready
Direct docking supported
|
|
E3L051332
BDB051332
|
BDBM50296711
CC(Cc1ccc(Oc2cc(N3CCN(c4cccc(Cl)c4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O
|
C30H30ClN5O4 560.054000 |
KYJXLHJLEGGKPV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50296711; PubChem:CID25262243
|
Local ready
Direct docking supported
|
|
E3L051333
BDB051333
|
BDBM50296712
CC(Cc1ccc(Oc2cc(N3CCN(c4ncccn4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O
|
C28H29N7O4 527.585000 |
BNHDABHPDDHZAL-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50296712; PubChem:CID25262090
|
Local ready
Direct docking supported
|
|
E3L051334
BDB051334
|
BDBM50297508
CC(C)CN(CC(=O)N(CCCCN)CC(=O)N(CC(N)=O)Cc1ccc2c(c1)OCO2)C(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CN(CCCCN)C(=O)CNCc1ccc2c(c1)OCO2
|
C48H65N9O12 960.099000 |
BJXHBEYNTWROIG-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50297508
|
Local ready
Direct docking supported
|
|
E3L051335
BDB051335
|
BDBM50297509
C=CCN(CC(=O)N(CC(N)=O)CC(C)C)C(=O)CN(Cc1ccco1)C(=O)CN(Cc1ccco1)C(=O)CN(Cc1ccco1)C(=O)CN(CC(C)C)C(=O)CNCc1cn(CCCCN(CC(N)=O)C(=O)CN(Cc2ccc3c(c2)OCO3)C(=O)CN(CCCCN)C(=O)CN(Cc2ccc3c(c2)OCO3)C(=O)CN(CC(C)C)C(=O)CN(CCCCN)C(=O)CNCc2ccc3c(c2)OCO3)nn1
|
C97H133N21O23 1961.255000 |
QFVRXUKTYGDTKU-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50297509
|
Local ready
Direct docking supported
|
|
E3L051336
BDB051336
|
BDBM50297510
C#CCNCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC=C)CC(=O)N(CC(N)=O)CC(C)C)Cc1ccco1)Cc1ccco1)Cc1ccco1)CC(C)C
|
C43H58N8O10 846.983000 |
VLCVSFJZWALIAW-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50297510; PubChem:CID45267693
|
Local ready
Direct docking supported
|
|
E3L051337
BDB051337
|
BDBM50297511
CC(C)CN(CC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CC(=O)N(CCCCn1cc(CNCC(=O)N(CC(=O)N(CCO)CC(=O)N(CC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CC(N)=O)Cc2ccco2)Cc2ccco2)Cc2ccc3c(c2)OCO3)Cc2ccco2)nn1)CC(N)=O)Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2)C(=O)CN(CCCCN)C(=O)CNCc1ccc2c(c1)OCO2
|
C100H132N22O26 2058.284000 |
ORZOMMWVWSESPZ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50297511
|
Local ready
Direct docking supported
|
|
E3L051338
BDB051338
|
4H,5H-pyrrolo[1,2-a]quinoxalin-4-one
O=c1[nH]c2ccccc2n2cccc12
|
C11H8N2O 184.198000 |
LINHQLFBBDHSEJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50297826; PubChem:CID2740936
|
Local ready
Direct docking supported
|
|
E3L051339
BDB051339
|
BDBM50297827
O=c1[nH]c2cc(CNC3CC3)ccc2n2cccc12
|
C15H15N3O 253.305000 |
PZMMEFILQJSARI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50297827; PubChem:CID25156001
|
Local ready
Direct docking supported
|
|
E3L051340
BDB051340
|
BDBM50297828
O=c1[nH]c2cc(CN3CCCCC3)ccc2n2cccc12
|
C17H19N3O 281.359000 |
RTSVNZKUVGQOHS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50297828; PubChem:CID25156002
|
Local ready
Direct docking supported
|