| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L058381
BDB058381
|
BDBM50509801
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(C(F)(F)F)cc1
|
C38H33ClF3N5O8 780.156000 |
HSAQITXXQNWTND-QMOZSOIISA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509801
|
Local ready
Direct docking supported
|
|
E3L058382
BDB058382
|
BDBM50509802
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(C(F)(F)F)c1
|
C38H33ClF3N5O8 780.156000 |
FQNRPJFGWVMTSM-QMOZSOIISA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509802
|
Local ready
Direct docking supported
|
|
E3L058383
BDB058383
|
BDBM50509803
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(OC(F)(F)F)c1
|
C38H33ClF3N5O9 796.155000 |
AWWNERDESHDLFP-QMOZSOIISA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509803
|
Local ready
Direct docking supported
|
|
E3L058384
BDB058384
|
BDBM50509804
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(C(F)(F)F)c1
|
C39H35ClF3N5O9 810.182000 |
BGHIDEKWEGCINK-GCRSFRQPSA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509804
|
Local ready
Direct docking supported
|
|
E3L058385
BDB058385
|
BDBM50509805
O=C(O)CC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)Nc1ccccc1
|
C33H30Cl3N5O8 730.989000 |
NLEYLBDFJMEBQD-KLJDGLGGSA-N | P12830 | Catenin beta-1 |
BindingDB, PubChem
BindingDB:BDBM50509805; PubChem:CID155522080
|
Local ready
Direct docking supported
|
|
E3L058386
BDB058386
|
BDBM50509806
O=C(O)CC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)Nc1ccccc1
|
C33H31Cl2N5O8 696.544000 |
PWTMQAHQPJYWGG-KLJDGLGGSA-N | P12830 | Catenin beta-1 |
BindingDB, PubChem
BindingDB:BDBM50509806; PubChem:CID155555958
|
Local ready
Direct docking supported
|
|
E3L058387
BDB058387
|
BDBM50509807
O=C(O)CC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)Nc1ccccc1
|
C37H34ClN5O8 712.159000 |
MCBHSLWAKOPLPC-ASVWTAOFSA-N | P12830 | Catenin beta-1 |
BindingDB, PubChem
BindingDB:BDBM50509807; PubChem:CID146671571
|
Local ready
Direct docking supported
|
|
E3L058388
BDB058388
|
BDBM50509808
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-JNGVYSEMSA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509808
|
Local ready
Direct docking supported
|
|
E3L058389
BDB058389
|
BDBM50509809
NC(=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
|
C38H34ClF3N6O8 795.171000 |
AZCMXIRLGHHFQM-QMOZSOIISA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509809
|
Local ready
Direct docking supported
|
|
E3L058390
BDB058390
|
BDBM50509810
O=C(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
|
C37H31ClF3N9O7 806.158000 |
NWIKOXMHEHTGNY-BKHJTQGXSA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509810
|
Local ready
Direct docking supported
|
|
E3L058391
BDB058391
|
BDBM50509811
CCOC(=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
|
C40H37ClF3N9O7 848.239000 |
PTQJJNZDVAFMSL-PHDGFQFKSA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509811
|
Local ready
Direct docking supported
|
|
E3L058392
BDB058392
|
BDBM50509812
O=C(O)CC[C@H](NC(=O)[C@H](Cc1nn[nH]n1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
|
C38H32Cl2F3N9O7 854.630000 |
OYKFNVVXTZPSDB-JLHXZSQLSA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509812
|
Local ready
Direct docking supported
|
|
E3L058393
BDB058393
|
BDBM50509813
O=C(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
|
C38H33ClF3N9O7 820.185000 |
OQIIPRFMLCIWTR-QMOZSOIISA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509813
|
Local ready
Direct docking supported
|
|
E3L058394
BDB058394
|
BDBM50509815
COC(=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
|
C32H31ClN4O9 651.072000 |
OSOKFNGDEFHCFQ-GNKBHMEESA-N | P12830 | Catenin beta-1 |
BindingDB, PubChem
BindingDB:BDBM50509815; PubChem:CID155533295
|
Local ready
Direct docking supported
|
|
E3L058395
BDB058395
|
BDBM50509816
COC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2cc(OC)ccc2[nH]1
|
C33H34N4O10 646.653000 |
ADIUJMKHFVRRLD-KLJDGLGGSA-N | P12830 | Catenin beta-1 |
BindingDB, PubChem
BindingDB:BDBM50509816; PubChem:CID155561933
|
Local ready
Direct docking supported
|
|
E3L058396
BDB058396
|
BDBM50509817
COc1ccc(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)cc1
|
C38H36ClN5O9 742.185000 |
ITHCSJIXISFNRZ-GCRSFRQPSA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509817
|
Local ready
Direct docking supported
|
|
E3L058397
BDB058397
|
BDBM50509818
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-GCRSFRQPSA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509818
|
Local ready
Direct docking supported
|
|
E3L058398
BDB058398
|
BDBM50509819
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)Nc1ccc2c(c1)OCO2
|
C38H34ClN5O10 756.168000 |
IENXRCIFUJDMLA-XEVVZDEMSA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50509819
|
Local ready
Direct docking supported
|
|
E3L058399
BDB058399
|
BDBM50509820
CC(C)C[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)Nc1ccccc1
|
C30H34ClN5O8 628.082000 |
NROUDCXUFWEPLS-FIXSFTCYSA-N | P12830 | Catenin beta-1 |
BindingDB, PubChem
BindingDB:BDBM50509820; PubChem:CID155513400
|
Local ready
Direct docking supported
|
|
E3L058400
BDB058400
|
BDBM50509821
N#Cc1ccc(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
|
C34H31ClN6O8 687.109000 |
CGIRLPKWGZMBGL-NSVAZKTRSA-N | P12830 | Catenin beta-1 |
BindingDB, PubChem
BindingDB:BDBM50509821; PubChem:CID155524656
|
Local ready
Direct docking supported
|