| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L058361
BDB058361
|
BDBM50509565
O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccnc23)c(F)c1
|
C21H10ClF4N3O3 463.774000 |
MOBGLSPZTAMCCO-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50509565; PubChem:CID68279071
|
Local ready
Direct docking supported
|
|
E3L058362
BDB058362
|
BDBM50509777
O=C(O)CC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1Cl)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)Nc1ccccc1
|
C33H31Cl2N5O8 696.544000 |
ZEBLUANOECYZRT-URORMMCBSA-N | P12830 | Catenin beta-1 |
BindingDB, PubChem
BindingDB:BDBM50509777; PubChem:CID155514892
|
Local ready
Direct docking supported
|
|
E3L058363
BDB058363
|
BDBM50509778
NC(=O)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)Nc1ccc(OC(F)(F)F)cc1
|
C38H34ClF3N6O8 795.171000 |
RIWCFWGTWUBOMI-QMOZSOIISA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509778
|
Local ready
Direct docking supported
|
|
E3L058364
BDB058364
|
BDBM50509779
COC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1
|
C32H31N5O11 661.624000 |
QFOGNXBVUMVUOM-GNKBHMEESA-N | P12830 | Catenin beta-1 |
BindingDB, PubChem
BindingDB:BDBM50509779; PubChem:CID155522369
|
Local ready
Direct docking supported
|
|
E3L058365
BDB058365
|
BDBM50509780
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(F)c1
|
C37H33ClFN5O8 730.149000 |
MSLWUPCPUHWXGO-QMOZSOIISA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509780
|
Local ready
Direct docking supported
|
|
E3L058366
BDB058366
|
beta-catenin-IN-4
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(OC(F)(F)F)cc1
|
C38H33ClF3N5O9 796.155000 |
MLLGKYJIOWULMN-QMOZSOIISA-N | P12830 | Catenin beta-1 |
BindingDB, PubChem
BindingDB:BDBM50509781; PubChem:CID155522343
|
Local ready
Direct docking supported
|
|
E3L058367
BDB058367
|
BDBM50509783
COC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2cc(C)ccc2[nH]1
|
C33H34N4O9 630.654000 |
LZBSVRAXQXTPNA-KLJDGLGGSA-N | P12830 | Catenin beta-1 |
BindingDB, PubChem
BindingDB:BDBM50509783; PubChem:CID155522353
|
Local ready
Direct docking supported
|
|
E3L058368
BDB058368
|
BDBM50509784
COC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2cc(F)ccc2[nH]1
|
C32H31FN4O9 634.617000 |
JGDXTTNMWRFVEP-GNKBHMEESA-N | P12830 | Catenin beta-1 |
BindingDB, PubChem
BindingDB:BDBM50509784; PubChem:CID155520694
|
Local ready
Direct docking supported
|
|
E3L058369
BDB058369
|
BDBM50509785
O=C(O)CC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)Nc1ccccc1
|
C34H31ClF3N5O8 730.096000 |
REYHMYNPLCVYJN-KLJDGLGGSA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509785
|
Local ready
Direct docking supported
|
|
E3L058370
BDB058370
|
BDBM50509786
NC(=O)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)N[C@@H](Cc1nn[nH]n1)C(=O)Nc1ccc(OC(F)(F)F)cc1
|
C37H32ClF3N10O6 805.174000 |
MDDRPRKKKZSHPN-BKHJTQGXSA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509786
|
Local ready
Direct docking supported
|
|
E3L058371
BDB058371
|
BDBM50509791
COC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2ccc(Cl)cc2[nH]1
|
C32H31ClN4O9 651.072000 |
NKBZPLGOOUCKMP-GVUKDKGQSA-N | P12830 | Catenin beta-1 |
BindingDB, PubChem
BindingDB:BDBM50509791; PubChem:CID155551766
|
Local ready
Direct docking supported
|
|
E3L058372
BDB058372
|
BDBM50509792
COC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2cc(Br)ccc2[nH]1
|
C32H31BrN4O9 695.523000 |
FRYKISPBUWJXIV-GNKBHMEESA-N | P12830 | Catenin beta-1 |
BindingDB, PubChem
BindingDB:BDBM50509792; PubChem:CID155529863
|
Local ready
Direct docking supported
|
|
E3L058373
BDB058373
|
BDBM50509793
COC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1
|
C33H31F3N4O9 684.624000 |
QBRLQHMQCXXKJI-GNKBHMEESA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509793
|
Local ready
Direct docking supported
|
|
E3L058374
BDB058374
|
BDBM50509794
COC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2cc(Cl)cc(Cl)c2[nH]1
|
C32H30Cl2N4O9 685.517000 |
NCWWNUMSRYPHRB-LSQMVHIFSA-N | P12830 | Catenin beta-1 |
BindingDB, PubChem
BindingDB:BDBM50509794; PubChem:CID155523009
|
Local ready
Direct docking supported
|
|
E3L058375
BDB058375
|
BDBM50509795
CC(C)CCNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
|
C36H40ClN5O8 706.196000 |
RSSMMCYCHHCXNL-XEVVZDEMSA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509795
|
Local ready
Direct docking supported
|
|
E3L058376
BDB058376
|
BDBM50509796
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)Nc1ccccc1
|
C37H34ClN5O8 712.159000 |
MTCPLBYBZFINPU-QMOZSOIISA-N | P12830 | Catenin beta-1 |
BindingDB, PubChem
BindingDB:BDBM50509796; PubChem:CID155547949
|
Local ready
Direct docking supported
|
|
E3L058377
BDB058377
|
BDBM50509797
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)NCCc1ccccc1
|
C39H38ClN5O8 740.213000 |
POAMURKZWBFHRA-PHDGFQFKSA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509797
|
Local ready
Direct docking supported
|
|
E3L058378
BDB058378
|
BDBM50509798
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)Nc1ccccc1F
|
C37H33ClFN5O8 730.149000 |
GJSMPGYKCBOZLW-QMOZSOIISA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509798
|
Local ready
Direct docking supported
|
|
E3L058379
BDB058379
|
BDBM50509799
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(Cl)cc1
|
C37H33Cl2N5O8 746.604000 |
RKFWVKPDWPVSGT-QMOZSOIISA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509799
|
Local ready
Direct docking supported
|
|
E3L058380
BDB058380
|
BDBM50509800
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)Nc1ccccc1Cl
|
C37H33Cl2N5O8 746.604000 |
GCCSWHZMVKMSLS-QMOZSOIISA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509800
|
Local ready
Direct docking supported
|