| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L053401
BDB053401
|
BDBM50347565
CCc1nc2c(C)cc(Cc3ccccc3)nc2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C32H29N7 511.633000 |
VNCRGDCFGIGDGA-NDEPHWFRSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50347565; PubChem:CID53309406
|
Local ready
Direct docking supported
|
|
E3L053402
BDB053402
|
BDBM50347566
CCc1cc(C)c2nc(CC)n([C@H]3CCc4cc(-c5ccccc5-c5nnn[nH]5)ccc43)c2n1
|
C27H27N7 449.562000 |
XXWXOZMPDDSSEJ-QHCPKHFHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50347566; PubChem:CID53309274
|
Local ready
Direct docking supported
|
|
E3L053403
BDB053403
|
BDBM50347567
CCc1nc2c(C)cc(C)nc2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C26H25N7 435.535000 |
PACFDFGGIPMOKL-QFIPXVFZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50347567; PubChem:CID54178446
|
Local ready
Direct docking supported
|
|
E3L053404
BDB053404
|
BDBM50347568
Cc1cc(C)c2nc(C3CC3)n([C@H]3CCc4cc(-c5ccccc5-c5nnn[nH]5)ccc43)c2n1
|
C27H25N7 447.546000 |
KVHCBGFGXVLDGD-QHCPKHFHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50347568; PubChem:CID53309271
|
Local ready
Direct docking supported
|
|
E3L053405
BDB053405
|
BDBM50347569
Cc1cc(C)c2nc(C(C)C)n([C@H]3CCc4cc(-c5ccccc5-c5nnn[nH]5)ccc43)c2n1
|
C27H27N7 449.562000 |
HIAQXCKTDNPVSH-QHCPKHFHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50347569; PubChem:CID53309130
|
Local ready
Direct docking supported
|
|
E3L053406
BDB053406
|
BDBM50347570
CCc1nc2c(C)cc(CC(C)C)nc2n1[C@H]1CCc2cc(-c3ccccc3C(=O)O)ccc21
|
C29H31N3O2 453.586000 |
PSGXDVSUDNDHBN-VWLOTQADSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50347570; PubChem:CID53309128
|
Local ready
Direct docking supported
|
|
E3L053407
BDB053407
|
BDBM50347571
CCCc1nc2c(C)cc(C)nc2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C27H27N7 449.562000 |
UVDVRIXPMWDFIT-QHCPKHFHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50347571; PubChem:CID53309129
|
Local ready
Direct docking supported
|
|
E3L053408
BDB053408
|
BDBM50347572
CCc1c(C)nc2c(nc(CC)n2[C@H]2CCc3cc(-c4ccccc4-c4nnn[nH]4)ccc32)c1C
|
C28H29N7 463.589000 |
BOHFIMKUULPBBT-DEOSSOPVSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50347572; PubChem:CID53309273
|
Local ready
Direct docking supported
|
|
E3L053409
BDB053409
|
BDBM50347573
CCc1cc(C)c2nc(C(C)C)n([C@H]3CCc4cc(-c5ccccc5-c5nnn[nH]5)ccc43)c2n1
|
C28H29N7 463.589000 |
BYKYONJSKPPTTO-DEOSSOPVSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50347573; PubChem:CID53309275
|
Local ready
Direct docking supported
|
|
E3L053410
BDB053410
|
BDBM50347574
CCc1nc2c(CC(C)C)cc(C)nc2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C29H31N7 477.616000 |
AEXHTGISYTXJPO-VWLOTQADSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50347574; PubChem:CID53309405
|
Local ready
Direct docking supported
|
|
E3L053411
BDB053411
|
BDBM50347575
CCc1nc2c(C)c(C)c(C)nc2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C27H27N7 449.562000 |
PQLMUUHTNDBXNG-QHCPKHFHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50347575; PubChem:CID53309272
|
Local ready
Direct docking supported
|
|
E3L053412
BDB053412
|
BDBM50347576
CCc1nc2c(C)cc(C)nc2n1[C@@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C26H25N7 435.535000 |
PACFDFGGIPMOKL-JOCHJYFZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50347576; PubChem:CID18654313
|
Local ready
Direct docking supported
|
|
E3L053413
BDB053413
|
Mk-2461
CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1
|
C24H25N5O5S 495.561000 |
JGEBLDKNWBUGRZ-HXUWFJFHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50347659; PubChem:CID44137946
|
Local ready
Direct docking supported
|
|
E3L053414
BDB053414
|
BDBM50347738
CCCNC1=NC(=Cc2ccccc2O)C(=O)N1C
|
C14H17N3O2 259.309000 |
IHKPHJVJQJQFDE-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50347738
|
Local ready
Direct docking supported
|
|
E3L053415
BDB053415
|
BDBM50347740
CCCNC1=NC(=Cc2ccc3c(c2)OCO3)C(=O)N1
|
C14H15N3O3 273.292000 |
DYIOAOFYWZXKEX-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50347740
|
Local ready
Direct docking supported
|
|
E3L053416
BDB053416
|
BDBM50347741
CCCNC1=NC(=Cc2ccc3c(c2)OCO3)C(=O)N1CCC
|
C17H21N3O3 315.373000 |
HKVROFXUORCBNY-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50347741
|
Local ready
Direct docking supported
|
|
E3L053417
BDB053417
|
BDBM50347742
CCCNC1=NC(=Cc2ccc3c(c2)OCO3)C(=O)N1c1ccccc1
|
C20H19N3O3 349.390000 |
WETOEUBIZDVKBC-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50347742
|
Local ready
Direct docking supported
|
|
E3L053418
BDB053418
|
BDBM50347743
CCNC1=NC(=Cc2ccc3c(c2)OCO3)C(=O)N1
|
C13H13N3O3 259.265000 |
MIEPXFZAJZPNFG-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50347743; PubChem:CID136653046
|
Local ready
Direct docking supported
|
|
E3L053419
BDB053419
|
BDBM50347744
O=C1NC(NCC2CC2)=NC1=Cc1ccc2c(c1)OCO2
|
C15H15N3O3 285.303000 |
NNLAIIGSWMAAOG-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50347744
|
Local ready
Direct docking supported
|
|
E3L053420
BDB053420
|
BDBM50347745
Cc1ccc(NC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2)cc1
|
C18H15N3O3 321.336000 |
ITOTZLBIDAOTGK-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50347745
|
Local ready
Direct docking supported
|