| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054481
BDB054481
|
4-(7-Methoxypyrido[3,4-b]indol-9-yl)butan-1-amine
COc1ccc2c3ccncc3n(CCCCN)c2c1
|
C16H19N3O 269.348000 |
HVQPRPBQJAJWRM-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50379511; PubChem:CID54575645
|
Local ready
Direct docking supported
|
|
E3L054482
BDB054482
|
BDBM50379512
COc1ccc2c3ccnc(C)c3n(CCCCN)c2c1
|
C17H21N3O 283.375000 |
MDOYARWQQSWQJS-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50379512; PubChem:CID54575586
|
Local ready
Direct docking supported
|
|
E3L054483
BDB054483
|
BDBM50379513
Cc1nccc2c3ccc(OC(C)(C)C)cc3n(CCCCN)c12
|
C20H27N3O 325.456000 |
IPTQACFMCXUXER-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50379513; PubChem:CID54575720
|
Local ready
Direct docking supported
|
|
E3L054484
BDB054484
|
BDBM50379514
COc1cccc2c1c1ccnc(C)c1n2CCCCN
|
C17H21N3O 283.375000 |
FEWMHJQJZPACNP-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50379514; PubChem:CID54575652
|
Local ready
Direct docking supported
|
|
E3L054485
BDB054485
|
BDBM50379515
COc1ccc2c(c1)c1ccnc(C)c1n2CCCCN
|
C17H21N3O 283.375000 |
FKANGTJBYLHVMQ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50379515; PubChem:CID54575651
|
Local ready
Direct docking supported
|
|
E3L054486
BDB054486
|
BDBM50379516
COc1cccc2c3ccnc(C)c3n(CCCCN)c12
|
C17H21N3O 283.375000 |
VXDUTCPSYSDXLA-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50379516; PubChem:CID54575650
|
Local ready
Direct docking supported
|
|
E3L054487
BDB054487
|
BDBM50379517
Cc1nccc2c3cc4c(cc3n(CCCCN)c12)OCO4
|
C17H19N3O2 297.358000 |
LGWCTYRTABVWOH-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50379517; PubChem:CID54575783
|
Local ready
Direct docking supported
|
|
E3L054488
BDB054488
|
BDBM50379518
COc1ccc2c3ccnc(C)c3n(CCCCN)c2c1Cl
|
C17H20ClN3O 317.820000 |
LORKEEHZMNRSDL-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50379518; PubChem:CID54575715
|
Local ready
Direct docking supported
|
|
E3L054489
BDB054489
|
BDBM50379519
CNCCCCn1c2cc(OC)ccc2c2ccnc(C)c21
|
C18H23N3O 297.402000 |
XPFNENBYZKVRBB-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50379519; PubChem:CID54575717
|
Local ready
Direct docking supported
|
|
E3L054490
BDB054490
|
BDBM50379520
COc1ccc2c3ccnc(C)c3n(CCCCN(C)C)c2c1
|
C19H25N3O 311.429000 |
VHNUNRTXGXLCOB-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50379520; PubChem:CID54575718
|
Local ready
Direct docking supported
|
|
E3L054491
BDB054491
|
BDBM50379521
COc1ccc2c3ccnc(C(F)(F)F)c3n(CCCCN)c2c1
|
C17H18F3N3O 337.345000 |
JVBWXORXTBDUMH-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50379521; PubChem:CID54613080
|
Local ready
Direct docking supported
|
|
E3L054492
BDB054492
|
BDBM50379522
NCCCCn1c2cc(O)ccc2c2ccnc(C(F)(F)F)c21
|
C16H16F3N3O 323.318000 |
ZJHOWXOGPROKKN-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50379522
|
Local ready
Direct docking supported
|
|
E3L054493
BDB054493
|
BDBM50379523
COc1ccc2c3ccnc(C)c3n(CCCN)c2c1
|
C16H19N3O 269.348000 |
AWPWSWALRFFFFR-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50379523; PubChem:CID54575585
|
Local ready
Direct docking supported
|
|
E3L054494
BDB054494
|
BDBM50379524
COc1ccc2c3ccnc(C(C)C)c3n(CCCCN)c2c1
|
C19H25N3O 311.429000 |
JEMRYYAGGKBXIL-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50379524; PubChem:CID54575647
|
Local ready
Direct docking supported
|
|
E3L054495
BDB054495
|
BDBM50379525
CCc1nccc2c3ccc(OC)cc3n(CCCCN)c12
|
C18H23N3O 297.402000 |
OGCIUTNZBNCBON-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50379525; PubChem:CID54575646
|
Local ready
Direct docking supported
|
|
E3L054496
BDB054496
|
BDBM50379526
Cc1nccc2c3ccc(O)cc3n(CCCCN)c12
|
C16H19N3O 269.348000 |
XFJGBZMERWQDBJ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50379526
|
Local ready
Direct docking supported
|
|
E3L054497
BDB054497
|
BDBM50379527
Cc1nccc2c3ccc(F)cc3n(CCCCN)c12
|
C16H18FN3 271.339000 |
NPWLNSLBUISHMA-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50379527; PubChem:CID54575649
|
Local ready
Direct docking supported
|
|
E3L054498
BDB054498
|
BDBM50379528
Cc1nccc2c3ccc(NS(C)(=O)=O)cc3n(CCCCN)c12
|
C17H22N4O2S 346.456000 |
RIYODNJHOSJJLJ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50379528; PubChem:CID54575716
|
Local ready
Direct docking supported
|
|
E3L054499
BDB054499
|
Methyleugenol
C=CCc1ccc(OC)c(OC)c1
|
C11H14O2 178.231000 |
ZYEMGPIYFIJGTP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50379791; PubChem:CID7127
|
Local ready
Direct docking supported
|
|
E3L054500
BDB054500
|
(1R,2S,5R,6R)-5'-O-methylpluviatilol
COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@H]3c2ccc3c(c2)OCO3)cc(OC)c1O
|
C21H22O7 386.400000 |
WQXZSCSXVJCPOG-MFRYECHYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50379792; PubChem:CID57404419
|
Local ready
Direct docking supported
|