| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L035781
BDB035781
|
BDBM711076
Cn1cnnc1[C@H](c1cccc(N2Cc3c(cc([C@@H](NC4(C)CCC4)C4CCC4)cc3C(F)(F)F)C2=O)c1)C1COC1
|
C32H36F3N5O2 579.667000 |
YJQMSQUEWGKXSC-IZLXSDGUSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM711076; PubChem:CID168262780
|
Local ready
Direct docking supported
|
|
E3L035782
BDB035782
|
BDBM711077
CC1(NCc2cc3c(c(C(F)(F)F)c2)CN(c2cccc([C@@H](C4COC4)n4ccnn4)c2)C3=O)CCC1
|
C27H28F3N5O2 511.548000 |
QQUVFOWMNHSIRI-DEOSSOPVSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B, Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM711077; PubChem:CID168835379
|
Local ready
Direct docking supported
|
|
E3L035783
BDB035783
|
BDBM711078
CC1(NCc2cc3c(c(C(F)(F)F)c2)CN(c2cccc([C@H](C4COC4)n4ccnn4)c2)C3=O)CCC1
|
C27H28F3N5O2 511.548000 |
QQUVFOWMNHSIRI-XMMPIXPASA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM711078; PubChem:CID168262978
|
Local ready
Direct docking supported
|
|
E3L035784
BDB035784
|
BDBM711079
Cn1cnnc1[C@@H](c1cccc(N2Cc3c(cc(CNC4(C)CCC4)cc3C(F)(F)F)C2=O)c1)[C@@H]1CCS(=O)(=O)C1
|
C29H32F3N5O3S 587.668000 |
ZYNZQNWLVLBDIM-NLFFAJNJSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM711079
|
Local ready
Direct docking supported
|
|
E3L035785
BDB035785
|
BDBM711080
Cn1cnnc1[C@H](c1cccc(N2Cc3c(cc(CNC4(C)CCC4)cc3C(F)(F)F)C2=O)c1)[C@@H]1CCS(=O)(=O)C1
|
C29H32F3N5O3S 587.668000 |
ZYNZQNWLVLBDIM-CJFMBICVSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM711080
|
Local ready
Direct docking supported
|
|
E3L035786
BDB035786
|
BDBM711081
CC1(NCc2cc3c(c(C(F)(F)F)c2)CN(c2cccc([C@H](c4nnc[nH]4)C4COC4)c2)C3=O)CCC1
|
C27H28F3N5O2 511.548000 |
UQAOQMSVVMQPBU-QHCPKHFHSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM711081; PubChem:CID168835375
|
Local ready
Direct docking supported
|
|
E3L035787
BDB035787
|
BDBM711082
CC1(NCc2cc3c(c(C(F)(F)F)c2)CN(c2cccc([C@@H](c4nnc[nH]4)C4COC4)c2)C3=O)CCC1
|
C27H28F3N5O2 511.548000 |
UQAOQMSVVMQPBU-HSZRJFAPSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM711082; PubChem:CID168835202
|
Local ready
Direct docking supported
|
|
E3L035788
BDB035788
|
BDBM711084
C[C@@H](NC1(C)CCC1)c1cc2c(c(C(F)(F)F)c1)CN(c1cccc([C@@H](c3nncn3C)C3COC3)c1)C2=O
|
C29H32F3N5O2 539.602000 |
ITCYMXGHPXIVGP-CRICUBBOSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM711084; PubChem:CID168262747
|
Local ready
Direct docking supported
|
|
E3L035789
BDB035789
|
BDBM711085
C[C@@H](NC1(C)CCC1)c1cc2c(c(C(F)(F)F)c1)CN(c1cccc([C@H](c3nncn3C)C3COC3)c1)C2=O
|
C29H32F3N5O2 539.602000 |
ITCYMXGHPXIVGP-NSYGIPOTSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B, Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM711085; PubChem:CID168262472
|
Local ready
Direct docking supported
|
|
E3L035790
BDB035790
|
BDBM711086
C[C@H](NC1(C)CCC1)c1cc2c(c(C(F)(F)F)c1)CN(c1cccc([C@H](c3nncn3C)C3COC3)c1)C2=O
|
C29H32F3N5O2 539.602000 |
ITCYMXGHPXIVGP-GKVSMKOHSA-N | Q13191 | Tyrosine-protein kinase Lck, E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM711086; PubChem:CID168262971
|
Local ready
Direct docking supported
|
|
E3L035791
BDB035791
|
BDBM711088
Cn1cnnc1[C@]1(c2cccc(N3Cc4c(cc(CNC5(C)CCC5)cc4C(F)(F)F)C3=O)c2)C[C@@H](Cl)C1
|
C28H29ClF3N5O 544.021000 |
UEPKOBLDGLEGJN-GEQDBVPJSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B, Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM711088
|
Local ready
Direct docking supported
|
|
E3L035792
BDB035792
|
BDBM711089
CO[C@H]1C[C@@](c2cccc(N3Cc4ccc(CNC5(C)CCC5)cc4C3=O)c2)(c2nncn2C)C1
|
C28H33N5O2 471.605000 |
RQVWDOMMFOUDTO-LMBZAKDXSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B, Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM711089
|
Local ready
Direct docking supported
|
|
E3L035793
BDB035793
|
BDBM711090
CO[C@H]1C[C@](c2cccc(N3Cc4ccc(CNC5(C)CCC5)cc4C3=O)c2)(c2nncn2C)C1
|
C28H33N5O2 471.605000 |
RQVWDOMMFOUDTO-UEZMCPDZSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B, Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM711090
|
Local ready
Direct docking supported
|
|
E3L035794
BDB035794
|
BDBM711091
Cn1cnnc1[C@]1(c2cccc(N3Cc4c(cc(CNC5(C)CCC5)cc4C(F)(F)F)C3=O)c2)C[C@@H](OC2CC2)C1
|
C31H34F3N5O2 565.640000 |
UHOKAMTZGAPIKI-HWSBAZIVSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B, Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM711091
|
Local ready
Direct docking supported
|
|
E3L035795
BDB035795
|
BDBM711092
Cn1cnnc1[C@]1(c2cccc(N3Cc4c(Cl)cc(CNC5(C)CCC5)cc4C3=O)c2)C[C@@H](Cl)C1
|
C27H29Cl2N5O 510.469000 |
DWRGCIFPKCMJTG-GEQDBVPJSA-N | Q13191 | Tyrosine-protein kinase Lck, E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM711092
|
Local ready
Direct docking supported
|
|
E3L035796
BDB035796
|
BDBM711093
Cn1cnnc1[C@]1(c2cccc(N3Cc4c(Cl)cc(CNC5(C)CCC5)cc4C3=O)c2)C[C@H](Cl)C1
|
C27H29Cl2N5O 510.469000 |
DWRGCIFPKCMJTG-JKCYLYBBSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B, Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM711093
|
Local ready
Direct docking supported
|
|
E3L035797
BDB035797
|
BDBM711094
Cn1cnnc1C1(c2cccc(N3Cc4c(cc(C(CF)NC5(C)CCC5)cc4C(F)(F)F)C3=O)c2)CCC1
|
C29H31F4N5O 541.593000 |
AOWZYNWNRVOUEX-UHFFFAOYSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B, Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM711094; PubChem:CID168263009
|
Local ready
Direct docking supported
|
|
E3L035798
BDB035798
|
BDBM711095
CC[C@H]1C[C@@](c2cccc(N3Cc4c(cc(CNC5(C)CCC5)cc4C(F)(F)F)C3=O)c2)(c2nncn2C)C1
|
C30H34F3N5O 537.630000 |
GXZDNYIGAGDQLG-CGSFZAOMSA-N | Q13191 | Tyrosine-protein kinase Lck, E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM711095
|
Local ready
Direct docking supported
|
|
E3L035799
BDB035799
|
BDBM711096
CC[C@H]1C[C@](c2cccc(N3Cc4c(cc(CNC5(C)CCC5)cc4C(F)(F)F)C3=O)c2)(c2nncn2C)C1
|
C30H34F3N5O 537.630000 |
GXZDNYIGAGDQLG-PHYNJUQWSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B, Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM711096
|
Local ready
Direct docking supported
|
|
E3L035800
BDB035800
|
BDBM711097
Cn1cnnc1[C@H](c1cccc(N2Cc3c(cc([C@H](NC4(C)CCC4)C4CC4)cc3C(F)(F)F)C2=O)c1)C1COC1
|
C31H34F3N5O2 565.640000 |
NHYQTRZJXXIGIG-KAYWLYCHSA-N | Q13191 | Tyrosine-protein kinase Lck, E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM711097; PubChem:CID168262759
|
Local ready
Direct docking supported
|