| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L034661
BDB034661
|
BDBM698981
CO[C@H]1C[C@H](Nc2cc(C3CC3)cnc2C(=O)N(CC2CC2)[C@@H]2CNCC(c3nnco3)C2)C1
|
C25H34N6O3 466.586000 |
AERFNDBOOWRPJG-KTYMLHDXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM698981
|
Local ready
Direct docking supported
|
|
E3L034662
BDB034662
|
BDBM698982
CO[C@H]1C[C@H](Nc2cc(C3CC3)cnc2C(=O)N(CC(C)C)[C@@H]2CNC[C@H](c3nnco3)C2)C1
|
C25H36N6O3 468.602000 |
NTQPNMGLGPWHRI-MXEMCNAFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM698982
|
Local ready
Direct docking supported
|
|
E3L034663
BDB034663
|
BDBM698983
CO[C@H]1C[C@H](Nc2nc(C3CC3)ncc2C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(=O)N3CCOC[C@@H]3C)C2)C1
|
C28H44N6O4 528.698000 |
DBCKGOSRVSQWCA-UVVBHOOISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM698983
|
Local ready
Direct docking supported
|
|
E3L034664
BDB034664
|
US12110286, Example 1a
CNC(=O)c1cc(Nc2ccc3c(c2)n(CCC(C)(C)O)c(=O)n3C)c(C#N)c(Cl)n1
|
C21H23ClN6O3 442.907000 |
CQLXRGLCHPRKBN-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM699354; PubChem:CID135387003
|
Local ready
Direct docking supported
|
|
E3L034665
BDB034665
|
US12110286, Example 1b
Cc1cc(Nc2ccc3c(c2)n(CCC(C)(C)O)c(=O)n3C)c(C#N)c(Cl)n1
|
C20H22ClN5O2 399.882000 |
NJYXMUGNNCVJPP-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM699355; PubChem:CID135386016
|
Local ready
Direct docking supported
|
|
E3L034666
BDB034666
|
US12110286, Example 1c
Cn1c(=O)n(C)c2cc(Nc3cc(C(=O)O)nc(Cl)c3C#N)ccc21
|
C16H12ClN5O3 357.757000 |
BLIIEYVTMWKEGG-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM699392; PubChem:CID135386853
|
Local ready
Direct docking supported
|
|
E3L034667
BDB034667
|
US12110286, Example 1d
CNC(=O)c1cc(Nc2ccc3c(c2)n(CC[C@H](C)n2cccn2)c(=O)n3C)c(C#N)c(Cl)n1
|
C23H23ClN8O2 478.944000 |
LLKCWYLUZPVJTK-AWEZNQCLSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM699418; PubChem:CID142478619
|
Local ready
Direct docking supported
|
|
E3L034668
BDB034668
|
US12110286, Example 1e
C[C@@H](O)CCn1c(=O)n(C)c2ccc(Nc3cc(C(=O)O)nc(Cl)c3C#N)cc21
|
C19H18ClN5O4 415.837000 |
NKXDENMTOMLUKM-SNVBAGLBSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM699433; PubChem:CID142478647
|
Local ready
Direct docking supported
|
|
E3L034669
BDB034669
|
US12110286, Example 1f
CNC(=O)c1cc(Nc2ccc3c(c2)[nH]c(=O)n3C)c(C#N)c(Cl)n1
|
C16H13ClN6O2 356.773000 |
CXLHWVWLOJZWDY-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM699495; PubChem:CID142478738
|
Local ready
Direct docking supported
|
|
E3L034670
BDB034670
|
US12110286, Example 1g
CNC(=O)c1cc(Nc2ccc3c(c2)n(CCC(C)(C)O)c(=O)n3CC2CCOCC2)c(C#N)c(Cl)n1
|
C26H31ClN6O4 527.025000 |
UMQIMUNKOFVBPZ-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM699496; PubChem:CID152030709
|
Local ready
Direct docking supported
|
|
E3L034671
BDB034671
|
US12110286, Example 1h
CCOC(=O)c1cc(Nc2ccc3c(c2)n(CCC(C)(C)O)c(=O)n3C)n2nccc2n1
|
C22H26N6O4 438.488000 |
TWUPWGJIZKVDRP-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM699497; PubChem:CID135386181
|
Local ready
Direct docking supported
|
|
E3L034672
BDB034672
|
US12110286, Example 1j
COC(=O)C(C)CCn1c(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc21
|
C20H20ClN5O3 413.865000 |
FAFZQVRTOCIABQ-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM699499; PubChem:CID135385844
|
Local ready
Direct docking supported
|
|
E3L034673
BDB034673
|
US12110286, Example 1k
Cn1c(=O)n(CCC(C)(C)O)c2cc(Nc3ccnc(Br)c3C#N)ccc21
|
C19H20BrN5O2 430.306000 |
WIDFECLXAJGPEW-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM699500; PubChem:CID135385995
|
Local ready
Direct docking supported
|
|
E3L034674
BDB034674
|
US12110286, Example 1l
Cc1cc(Nc2ccc3c(c2)n(CC[C@@H](C)O)c(=O)n3C)c(C#N)c(Cl)n1
|
C19H20ClN5O2 385.855000 |
LDBJIWXTRQLUBY-GFCCVEGCSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM699501; PubChem:CID142478732
|
Local ready
Direct docking supported
|
|
E3L034675
BDB034675
|
US12110286, Example 1m
C[C@@H](O)CCn1c(=O)n(C)c2ccc(Nc3cc(Cl)ncc3Cl)cc21
|
C17H18Cl2N4O2 381.263000 |
JDDRMJTZJWIMON-SNVBAGLBSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM699502; PubChem:CID142478663
|
Local ready
Direct docking supported
|
|
E3L034676
BDB034676
|
US12110286, Example 1o
CCOC(=O)c1cc(Nc2ccc3c(c2)n(CC[C@@H](C)O)c(=O)n3C)n2nccc2n1
|
C21H24N6O4 424.461000 |
KBNMWKPQMJPTOG-CYBMUJFWSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM699505; PubChem:CID142478680
|
Local ready
Direct docking supported
|
|
E3L034677
BDB034677
|
US12110286, Example 1q
C[C@@H](O)CCn1c(=O)n(C)c2ccc(Nc3ccnc(Cl)c3Cl)cc21
|
C17H18Cl2N4O2 381.263000 |
ASHHKTKHQZLFOL-SNVBAGLBSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM699507; PubChem:CID149696807
|
Local ready
Direct docking supported
|
|
E3L034678
BDB034678
|
US12110286, Example 1r
CCOC(=O)c1cc(Nc2ccc3c(c2)n(CC(O)CC)c(=O)n3C)n2ncc(F)c2n1
|
C21H23FN6O4 442.451000 |
RTJVZYBUTPMBMT-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM699508; PubChem:CID135387059
|
Local ready
Direct docking supported
|
|
E3L034679
BDB034679
|
US12110286, Example 2a
COC(=O)c1cc(Nc2ccc3c(c2)n(CCC(C)C(=O)OC)c(=O)n3C)c(C#N)c(Cl)n1
|
C22H22ClN5O5 471.901000 |
PUHPBQNUGDDNFM-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM699509; PubChem:CID135386728
|
Local ready
Direct docking supported
|
|
E3L034680
BDB034680
|
US12110286, Example 2b
CCOC(=O)c1cc(Nc2ccc3c(c2)n(CCC(C)C(=O)OC)c(=O)n3C)c(C#N)c(Cl)n1
|
C23H24ClN5O5 485.928000 |
SKLXDTLHSFYGGH-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM699510; PubChem:CID135385993
|
Local ready
Direct docking supported
|