| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L058401
BDB058401
|
BDBM50509822
COc1cccc(NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1
|
C38H36ClN5O9 742.185000 |
GGYYSTJFHOEGEK-LHHUKBANSA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509822
|
Local ready
Direct docking supported
|
|
E3L058402
BDB058402
|
BDBM50509823
NC(=O)CC[C@H](NC(=O)[C@H](Cc1nn[nH]n1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
|
C38H34ClF3N10O6 819.201000 |
OLLOUZQFLAVNEZ-QMOZSOIISA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509823
|
Local ready
Direct docking supported
|
|
E3L058403
BDB058403
|
BDBM50509826
COC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2c(Cl)cccc2[nH]1
|
C32H31ClN4O9 651.072000 |
IRMZYOXXFZQATK-GNKBHMEESA-N | P12830 | Catenin beta-1 |
BindingDB, PubChem
BindingDB:BDBM50509826; PubChem:CID155556130
|
Local ready
Direct docking supported
|
|
E3L058404
BDB058404
|
BDBM50509827
COC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1
|
C32H30Cl2N4O9 685.517000 |
BIGIOGZXGNXUFF-GVUKDKGQSA-N | P12830 | Catenin beta-1 |
BindingDB, PubChem
BindingDB:BDBM50509827; PubChem:CID155553111
|
Local ready
Direct docking supported
|
|
E3L058405
BDB058405
|
BDBM50509828
O=C(O)CC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)Nc1ccc(F)cc1
|
C37H33ClFN5O8 730.149000 |
ZJZXRKOOZKAZHS-QMOZSOIISA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509828
|
Local ready
Direct docking supported
|
|
E3L058406
BDB058406
|
BDBM50509829
O=C(O)CC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)Nc1cccc(Cl)c1
|
C37H33Cl2N5O8 746.604000 |
OTFLOKLOTVOQMO-QMOZSOIISA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509829
|
Local ready
Direct docking supported
|
|
E3L058407
BDB058407
|
BDBM50509830
COc1cccc(NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1
|
C38H36ClN5O9 742.185000 |
GGYYSTJFHOEGEK-WTGSTYHVSA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509830
|
Local ready
Direct docking supported
|
|
E3L058408
BDB058408
|
BDBM50509831
O=C(O)CC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)NCc1ccccc1
|
C38H36ClN5O8 726.186000 |
XYAMUYWFKQNGDE-GCRSFRQPSA-N | P12830 | Catenin beta-1 |
BindingDB, PubChem
BindingDB:BDBM50509831; PubChem:CID155518610
|
Local ready
Direct docking supported
|
|
E3L058409
BDB058409
|
BDBM50509832
COc1ccc(C[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)Nc2ccccc2)cc1
|
C34H34ClN5O9 692.125000 |
FLILQIHLGUFGSZ-NSVAZKTRSA-N | P12830 | Catenin beta-1 |
BindingDB, PubChem
BindingDB:BDBM50509832; PubChem:CID155516253
|
Local ready
Direct docking supported
|
|
E3L058410
BDB058410
|
BDBM50509833
COc1cc(NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc(OC)c1
|
C39H38ClN5O10 772.211000 |
QJCYFTPHOCCBEH-PHDGFQFKSA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509833
|
Local ready
Direct docking supported
|
|
E3L058411
BDB058411
|
BDBM50510090
COc1cc(C)c2c(c1)CC[C@@](C)(CC/C=C(\C)CC/C=C(\C)C(=O)O)O2
|
C23H32O4 372.505000 |
AABSZBMLGKTAOK-YGWYNWFMSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50510090; PubChem:CID155547646
|
Local ready
Direct docking supported
|
|
E3L058412
BDB058412
|
BDBM50510091
CCCOc1cc(C)c2c(c1)CC[C@@](C)(CC/C=C(\C)CC/C=C(\C)C(=O)O)O2
|
C25H36O4 400.559000 |
JXYNJRKTLXPWRO-CVZCJSSSSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50510091; PubChem:CID155541750
|
Local ready
Direct docking supported
|
|
E3L058413
BDB058413
|
BDBM50510092
C/C(=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1)CC/C=C(\C)C(=O)O
|
C22H30O4 358.478000 |
YBTAYKPEYLOHDQ-OKUILHSMSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50510092; PubChem:CID155569680
|
Local ready
Direct docking supported
|
|
E3L058414
BDB058414
|
BDBM50510093
COC(=O)C(OC(=O)/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC)cc(C)c2O1)C(=O)OC
|
C28H38O8 502.604000 |
WAYSRDGVOXXQPA-JVOSARJMSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50510093; PubChem:CID155532130
|
Local ready
Direct docking supported
|
|
E3L058415
BDB058415
|
BDBM50510094
CCCOC(=O)/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1
|
C25H36O4 400.559000 |
XFQKYNGRQFOASX-CVZCJSSSSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50510094; PubChem:CID155527309
|
Local ready
Direct docking supported
|
|
E3L058416
BDB058416
|
BDBM50510133
CN(CCc1ccc(-c2ccccc2)cc1)Cc1cn(C)c2ccc(C(=O)Nc3ccc(F)cc3)cc12
|
C32H30FN3O 491.610000 |
XYNOVGMRAYSMEO-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50510133; PubChem:CID155518524
|
Local ready
Direct docking supported
|
|
E3L058417
BDB058417
|
Pelabresib Anhydrous
Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=N[C@H]2CC(N)=O
|
C20H16ClN3O2 365.820000 |
GCWIQUVXWZWCLE-INIZCTEOSA-N | O15164, Q92793, Q92831 | Histone acetyltransferase KAT2B, Transcription intermediary factor 1-alpha, CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50510872; PubChem:CID57389999
|
Local ready
Direct docking supported
|
|
E3L058418
BDB058418
|
AM-6494
C#CCOc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@@]4(COC)C[C@H]43)c2)cn1
|
C22H21F2N5O3S 473.505000 |
IPUJINDWAGRAHN-KNXBSLHKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50510976; PubChem:CID118866105
|
Local ready
Direct docking supported
|
|
E3L058419
BDB058419
|
BDBM50510977
C#CCOc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@@]4(C(F)F)C[C@@H]34)c2)cn1
|
C21H17F4N5O2S 479.459000 |
NURKHPHCXJUBHN-DLPLYFIVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50510977
|
Local ready
Direct docking supported
|
|
E3L058420
BDB058420
|
BDBM50511193
O=C(O)c1cccc(NCc2ccc(OCc3ccc(F)cc3F)cc2)c1
|
C21H17F2NO3 369.367000 |
WDVVAJREPJAMEA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50511193; PubChem:CID155531862
|
Local ready
Direct docking supported
|