| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L039281
BDB039281
|
US20250197363, Example 24
Cc1ccc(-c2nnc(CSc3ccc(OC(C)(C)C(=O)O)c(C)c3)s2)cc1
|
C21H22N2O3S2 414.552000 |
RSFUYJNOGXICGU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM751485; PubChem:CID169187876
|
Local ready
Direct docking supported
|
|
E3L039282
BDB039282
|
US20250197363, Example 25
Cc1cc(SCc2nnc(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)O
|
C19H15F3N2O4S2 456.467000 |
CUBNPKYXENIHPS-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM751486; PubChem:CID169187935
|
Local ready
Direct docking supported
|
|
E3L039283
BDB039283
|
US20250197363, Example 26
Cc1cc(SCc2nnc(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OC(C)C(=O)O
|
C20H17F3N2O4S2 470.494000 |
SIJYXRGIGMDMCY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM751487; PubChem:CID169187931
|
Local ready
Direct docking supported
|
|
E3L039284
BDB039284
|
US20250197363, Example 27
Cc1cc(SCc2nnc(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OC(C)(C)C(=O)O
|
C21H19F3N2O4S2 484.521000 |
YWDZEMYMLXVOCA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM751488; PubChem:CID169187919
|
Local ready
Direct docking supported
|
|
E3L039285
BDB039285
|
BDBM753595
COc1cc(F)c(-c2ncc(N3CCC[C@](N)([C@H](O)C(F)F)C3)c(Cn3cnc4c(N)ncnc43)n2)cc1F
|
C24H25F4N9O2 547.517000 |
UCYIIAXZKDMECE-NTKDMRAZSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM753595; PubChem:CID170423876
|
Local ready
Direct docking supported
|
|
E3L039286
BDB039286
|
BDBM753597
COc1cc(F)c(-c2cc(Cn3cnc4c(N)ncnc43)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)nn2)cc1F
|
C24H25F4N9O2 547.517000 |
CEMVFFKRBGENGF-NTKDMRAZSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM753597; PubChem:CID170423883
|
Local ready
Direct docking supported
|
|
E3L039287
BDB039287
|
BDBM753608
COc1cc(F)c(-c2nc(Cn3cnc4c(N)ncnc43)c(N3CCC[C@@](N)([C@H](O)C(F)F)C3)s2)cc1F
|
C23H24F4N8O2S 552.558000 |
CVNINEZIGMHMRK-HXOBKFHXSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM753608; PubChem:CID176801984
|
Local ready
Direct docking supported
|
|
E3L039288
BDB039288
|
BDBM755773
CCC1Oc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2NC1=O
|
C22H27N5O3 409.490000 |
OKGPSMHXUQXCGD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM755773; PubChem:CID169189583
|
Local ready
Direct docking supported
|
|
E3L039289
BDB039289
|
BDBM755805
CC[C@H]1Oc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4C)CC3)cc2NC1=O
|
C23H29N5O3 423.517000 |
XYEMFJYBYFKKDF-HXUWFJFHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM755805; PubChem:CID169189677
|
Local ready
Direct docking supported
|
|
E3L039290
BDB039290
|
BDBM755806
CC[C@H]1Oc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2NC1=O
|
C22H27N5O3 409.490000 |
OKGPSMHXUQXCGD-LJQANCHMSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM755806; PubChem:CID169189655
|
Local ready
Direct docking supported
|
|
E3L039291
BDB039291
|
BDBM755807
CC[C@@H]1Oc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4C)CC3)cc2NC1=O
|
C23H29N5O3 423.517000 |
XYEMFJYBYFKKDF-FQEVSTJZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM755807; PubChem:CID169189517
|
Local ready
Direct docking supported
|
|
E3L039292
BDB039292
|
BDBM755808
CC[C@@H]1Oc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2NC1=O
|
C22H27N5O3 409.490000 |
OKGPSMHXUQXCGD-IBGZPJMESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM755808; PubChem:CID170225794
|
Local ready
Direct docking supported
|
|
E3L039293
BDB039293
|
BDBM755809
CC[C@H]1Oc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4F)CC3)c(F)c2NC1=O
|
C22H25F2N5O3 445.470000 |
WEZJNZMHKCQRKH-MRXNPFEDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM755809; PubChem:CID169189586
|
Local ready
Direct docking supported
|
|
E3L039294
BDB039294
|
BDBM755810
CC[C@@H]1Oc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4F)CC3)c(F)c2NC1=O
|
C22H25F2N5O3 445.470000 |
WEZJNZMHKCQRKH-INIZCTEOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM755810; PubChem:CID169189596
|
Local ready
Direct docking supported
|
|
E3L039295
BDB039295
|
BDBM755811
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)C3(CCC3)O4)CC2)cn1
|
C23H27N5O3 421.501000 |
DQZPSEMISYDNCG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM755811; PubChem:CID169189745
|
Local ready
Direct docking supported
|
|
E3L039296
BDB039296
|
BDBM755812
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)C3(CC3)O4)CC2)cn1
|
C22H25N5O3 407.474000 |
MEKKVEHXCLTYHC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM755812; PubChem:CID169189669
|
Local ready
Direct docking supported
|
|
E3L039297
BDB039297
|
BDBM755813
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3F)NC(=O)C3(CC3)O4)CC2)c(F)n1
|
C22H23F2N5O3 443.454000 |
OFGNIXJVOJIERY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM755813; PubChem:CID169189663
|
Local ready
Direct docking supported
|
|
E3L039298
BDB039298
|
BDBM755814
CCC1Oc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4F)CC3)c(F)c2NC1=O
|
C22H25F2N5O3 445.470000 |
WEZJNZMHKCQRKH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM755814; PubChem:CID169189589
|
Local ready
Direct docking supported
|
|
E3L039299
BDB039299
|
BDBM755815
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)C3(CC3)O4)C(C)C2)cn1
|
C23H27N5O3 421.501000 |
UVUUFMFZTOZNLT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM755815; PubChem:CID177373537
|
Local ready
Direct docking supported
|
|
E3L039300
BDB039300
|
BDBM755816
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)C3(CC3)O4)CC2)c(F)n1
|
C22H24FN5O3 425.464000 |
FDHNEZVKSWWBGI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM755816; PubChem:CID169189520
|
Local ready
Direct docking supported
|