| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046821
BDB046821
|
BDBM50150908
Cc1nc(-c2ccc3c(c2)CC(=O)N3C)cs1
|
C13H12N2OS 244.319000 |
ZBEXFNOIOKBKIV-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50150908; PubChem:CID9398573
|
Local ready
Direct docking supported
|
|
E3L046822
BDB046822
|
BDBM50150909
CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C(=O)O)c2)c1C
|
C16H16N2O4 300.314000 |
NGOWGNBDRJDKOE-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50150909; PubChem:CID127029905
|
Local ready
Direct docking supported
|
|
E3L046823
BDB046823
|
BDBM50150919
CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C(=O)O)ccc2C)c1C
|
C17H18N2O4 314.341000 |
ZLVLXUCLUJDEKJ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50150919; PubChem:CID127029904
|
Local ready
Direct docking supported
|
|
E3L046824
BDB046824
|
BDBM50150938
CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(-c3nnco3)ccc2C)c1C
|
C18H18N4O3 338.367000 |
JAMVRUGEZYSOBY-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50150938; PubChem:CID51081283
|
Local ready
Direct docking supported
|
|
E3L046825
BDB046825
|
Ac-Cys(1)-Trp-Lys-Lys(Ac)-Leu-Cys(1)-Phe-Lys-NH2
CC(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CC(C)C)NC1=O
|
C54H81N13O10S2 1136.457000 |
GKWDXWRCTFLLLH-QVWIHFFISA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50150939; PubChem:CID127034116
|
Local ready
Direct docking supported
|
|
E3L046826
BDB046826
|
Muraglitazar
COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1
|
C29H28N2O7 516.550000 |
IRLWJILLXJGJTD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50150998; PubChem:CID206044
|
Local ready
Direct docking supported
|
|
E3L046827
BDB046827
|
BDBM50150999
CC(C)O[C@@H](Cc1ccc(OCc2noc(-c3ccc(C(C)C)cc3)n2)cc1)C(=O)O
|
C24H28N2O5 424.497000 |
JTOAFJBWGZQGSU-NRFANRHFSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50150999; PubChem:CID44396236
|
Local ready
Direct docking supported
|
|
E3L046828
BDB046828
|
BDBM50151000
CCc1ccc(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)cc1
|
C20H21NO3S 355.459000 |
NLVHTGONXUEUTD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50151000; PubChem:CID91933038
|
Local ready
Direct docking supported
|
|
E3L046829
BDB046829
|
BDBM50151001
CC(CC(=O)c1ccccc1)=N[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O
|
C31H30N2O5 510.590000 |
LHXYGMFDWCTMSZ-NDEPHWFRSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50151001; PubChem:CID57180857
|
Local ready
Direct docking supported
|
|
E3L046830
BDB046830
|
BDBM50151009
Cc1cccc2c(=O)[nH]c(CCCN3CC=C(c4ccccc4)CC3)nc12
|
C23H25N3O 359.473000 |
AGCKHWQMNGDPJJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50151009; PubChem:CID135531195
|
Local ready
Direct docking supported
|
|
E3L046831
BDB046831
|
BDBM50151010
O=c1[nH]c(CCCN2CCc3c([nH]c4ccccc34)C2)nc2ccccc12
|
C22H22N4O 358.445000 |
KVSWJONATOQUSH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50151010; PubChem:CID135519366
|
Local ready
Direct docking supported
|
|
E3L046832
BDB046832
|
BDBM50151011
O=c1[nH]c(CCCN2CC=C(c3cccc(F)c3)CC2)nc2ccccc12
|
C22H22FN3O 363.436000 |
WQLBTMAXIRLQJJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50151011; PubChem:CID135405818
|
Local ready
Direct docking supported
|
|
E3L046833
BDB046833
|
BDBM50151012
O=c1[nH]c(CCCN2CC=C(c3ccc(O)cc3)CC2)nc2ccccc12
|
C22H23N3O2 361.445000 |
VVYGOCQBAQDXOA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50151012; PubChem:CID135495133
|
Local ready
Direct docking supported
|
|
E3L046834
BDB046834
|
BDBM50151013
O=c1[nH]c(CCCN2CC=C(c3ccc(-[n+]4ccccc4)cc3)CC2)nc2ccccc12
|
C27H27N4O+ 423.540000 |
QBNUELPTRBGXCU-UHFFFAOYSA-O | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50151013; PubChem:CID136053699
|
Local ready
Direct docking supported
|
|
E3L046835
BDB046835
|
BDBM50151014
COc1ccccc1C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1
|
C23H25N3O2 375.472000 |
UBTXEYKSDRZHQU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50151014; PubChem:CID135405830
|
Local ready
Direct docking supported
|
|
E3L046836
BDB046836
|
BDBM50151015
Cc1ccc(C2=CCN(CCCc3nc4ccccc4c(=O)[nH]3)CC2)cc1
|
C23H25N3O 359.473000 |
IJDSWKBMRAAJPU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50151015; PubChem:CID135471234
|
Local ready
Direct docking supported
|
|
E3L046837
BDB046837
|
BDBM50151016
COc1ccc(C2=CCN(CCCc3nc4ccccc4c(=O)[nH]3)CC2)cc1
|
C23H25N3O2 375.472000 |
POBSLTTZCFWOHP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50151016; PubChem:CID135440349
|
Local ready
Direct docking supported
|
|
E3L046838
BDB046838
|
BDBM50151019
O=c1[nH]c(CCCN2CC=C(c3ccccc3F)CC2)nc2ccccc12
|
C22H22FN3O 363.436000 |
YFGRWGSCTNRIBW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50151019; PubChem:CID135483671
|
Local ready
Direct docking supported
|
|
E3L046839
BDB046839
|
BDBM50151022
CCc1cccc2c(=O)[nH]c(CCCN3CC=C(c4ccccc4)CC3)nc12
|
C24H27N3O 373.500000 |
BLYSXDLBXMMRGT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50151022; PubChem:CID135436639
|
Local ready
Direct docking supported
|
|
E3L046840
BDB046840
|
BDBM50151023
O=c1[nH]c(CCCN2CC=C(c3ccc(-c4ccccc4)cc3)CC2)nc2ccccc12
|
C28H27N3O 421.544000 |
ZCFNRIXRIAHPJO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50151023; PubChem:CID135497113
|
Local ready
Direct docking supported
|