| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L058821
BDB058821
|
BDBM50517207
CCC/C(=C\c1cc(OCc2ccc3ncccc3c2)ccc1OCc1ccc(F)cc1)C(=O)O
|
C29H26FNO4 471.528000 |
VFWWVOANXSBWHS-XQNSMLJCSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50517207; PubChem:CID155514770
|
Local ready
Direct docking supported
|
|
E3L058822
BDB058822
|
BDBM50517208
CCC/C(=C\c1cc(OCc2ccc3nc(C(F)(F)F)cc(OC)c3c2)ccc1OCC1CCN(C)CC1)C(=O)O
|
C31H35F3N2O5 572.624000 |
QQBUOAQHLBBDFR-PXLXIMEGSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50517208; PubChem:CID155564609
|
Local ready
Direct docking supported
|
|
E3L058823
BDB058823
|
BDBM50517209
CCCC/C(=C\c1cc(OCc2ccc3nc(C(F)(F)F)cc(OC)c3c2)ccc1OCc1ccc(F)cc1)C(=O)O
|
C32H29F4NO5 583.578000 |
DZAWNZMJGGTCFX-PXLXIMEGSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50517209; PubChem:CID155559112
|
Local ready
Direct docking supported
|
|
E3L058824
BDB058824
|
BDBM50517210
CCC/C(=C\c1cc(OCc2ccc3ccccc3c2)ccc1OCc1ccc(F)cc1)C(=O)O
|
C30H27FO4 470.540000 |
ATTLVLBGSRXTLU-KOEQRZSOSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50517210; PubChem:CID155513005
|
Local ready
Direct docking supported
|
|
E3L058825
BDB058825
|
BDBM50517211
CCC/C(=C\c1cc(OCc2ccc3nc(C(F)(F)F)cc(OC)c3c2)ccc1OCc1cccc(F)c1)C(=O)O
|
C31H27F4NO5 569.551000 |
FJWIGQNSARCFBX-KGENOOAVSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50517211; PubChem:CID155521959
|
Local ready
Direct docking supported
|
|
E3L058826
BDB058826
|
BDBM50517212
CCCC/C(=C\c1cc(OCc2ccc3nc(C(F)(F)F)cc(OC)c3c2)ccc1OCc1ccc(OC(F)(F)F)cc1)C(=O)O
|
C33H29F6NO6 649.584000 |
GHQQDHZMNHZVNP-PXLXIMEGSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50517212; PubChem:CID155529997
|
Local ready
Direct docking supported
|
|
E3L058827
BDB058827
|
BDBM50517213
CCC/C(=C\c1cc(OCc2ccc3nc(C(F)(F)F)cc(OC)c3c2)ccc1OCc1ccncc1)C(=O)O
|
C30H27F3N2O5 552.549000 |
UIDGARYWPWDPOA-KGENOOAVSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50517213; PubChem:CID155554537
|
Local ready
Direct docking supported
|
|
E3L058828
BDB058828
|
BDBM50517214
COc1cc(C(F)(F)F)nc2ccc(COc3ccc(OCc4ccc(F)cc4)c(/C=C/C(=O)O)c3)cc12
|
C28H21F4NO5 527.470000 |
UNHIUMCBLSQLBD-VZUCSPMQSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50517214; PubChem:CID155547357
|
Local ready
Direct docking supported
|
|
E3L058829
BDB058829
|
BDBM50517215
CCC/C(=C\c1cc(OCc2ccc3ccccc3n2)ccc1OCc1ccc(F)cc1)C(=O)O
|
C29H26FNO4 471.528000 |
WUZJCHUMJQWGDA-CJLVFECKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50517215; PubChem:CID155514845
|
Local ready
Direct docking supported
|
|
E3L058830
BDB058830
|
BDBM50517216
COc1cc(C(F)(F)F)nc2ccc(COc3ccc(OCC4CCN(C)CC4)c(/C=C(\CCC4CC4)C(=O)O)c3)cc12
|
C33H37F3N2O5 598.662000 |
JUUYDZRCNZTBLB-LFVJCYFKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50517216; PubChem:CID155553675
|
Local ready
Direct docking supported
|
|
E3L058831
BDB058831
|
BDBM50517217
CCC/C(=C\c1cc(OCc2ccc3nc(C(F)(F)F)cc(OC)c3c2)ccc1NC(=O)c1ccc(F)cc1)C(=O)O
|
C31H26F4N2O5 582.550000 |
AUBCUGYRAYSYDB-XSFVSMFZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50517217; PubChem:CID155555023
|
Local ready
Direct docking supported
|
|
E3L058832
BDB058832
|
BDBM50517699
CCCCOC(=O)Cc1cc(Nc2nc(Nc3ccc(C(=O)NC4CC(C)(C)N([O])C(C)(C)C4)cc3)ncc2F)n[nH]1
|
C29H38FN8O4 581.673000 |
MLWHQHRPLFMZHY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50517699
|
Local ready
Direct docking supported
|
|
E3L058833
BDB058833
|
BDBM50517700
Cc1cc(Nc2nc(Nc3ccc(C(=O)NC4CC(C)(C)N(O)C(C)(C)C4)cc3)ncc2F)no1
|
C24H30FN7O3 483.548000 |
YEVNPJOHBLEPGC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50517700; PubChem:CID172039928
|
Local ready
Direct docking supported
|
|
E3L058834
BDB058834
|
BDBM50517890
O=C(O)c1ccc(Nc2ncc(F)c(Nc3ccccc3F)n2)cc1
|
C17H12F2N4O2 342.305000 |
VCVQJAVWZNQILI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50517890; PubChem:CID155510791
|
Local ready
Direct docking supported
|
|
E3L058835
BDB058835
|
BDBM50518240
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2
|
C72H107N19O18S2 1590.897000 |
NMQUIMIHINHOMQ-FROOAQRNSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50518240; PubChem:CID155514020
|
Local ready
Direct docking supported
|
|
E3L058836
BDB058836
|
BDBM50518241
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2
|
C72H107N21O18S2 1618.911000 |
QNIDBHORVMQSDP-UFUSHNEESA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50518241; PubChem:CID155551858
|
Local ready
Direct docking supported
|
|
E3L058837
BDB058837
|
BDBM50518249
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2
|
C72H106N18O18S2 1575.882000 |
LIELEUWQJRVBAG-IEBOQBBFSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50518249; PubChem:CID155567613
|
Local ready
Direct docking supported
|
|
E3L058838
BDB058838
|
BDBM50518791
Cc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1F
|
C18H15FN2O3S 358.394000 |
DILVLVXPRQTRMP-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM50518791; PubChem:CID135298550
|
Local ready
Direct docking supported
|
|
E3L058839
BDB058839
|
N'-(3-bromobenzenesulfonyl)-2-fluorobenzohydrazide
O=C(NNS(=O)(=O)c1cccc(Br)c1)c1ccccc1F
|
C13H10BrFN2O3S 373.203000 |
AWYDOZULKMEODQ-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM50518792; PubChem:CID8523918
|
Local ready
Direct docking supported
|
|
E3L058840
BDB058840
|
N'-(4-bromobenzenesulfonyl)-2-fluorobenzohydrazide
O=C(NNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1F
|
C13H10BrFN2O3S 373.203000 |
GVXZEUGUFJCPDX-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM50518793; PubChem:CID17421399
|
Local ready
Direct docking supported
|