| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L035401
BDB035401
|
BDBM710692
CO[C@H](c1cccc(N2Cc3c(cc(CNC4(C)CCC4)cc3C(F)(F)F)C2=O)c1)c1nncn1C
|
C26H28F3N5O2 499.537000 |
WTFSVVGAXXANBX-JOCHJYFZSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM710692; PubChem:CID168262468
|
Local ready
Direct docking supported
|
|
E3L035402
BDB035402
|
BDBM710693
CO[C@@H](c1cccc(N2Cc3c(cc(CNC4(C)CCC4)cc3C(F)(F)F)C2=O)c1)c1nncn1C
|
C26H28F3N5O2 499.537000 |
WTFSVVGAXXANBX-QFIPXVFZSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM710693; PubChem:CID168262492
|
Local ready
Direct docking supported
|
|
E3L035403
BDB035403
|
BDBM710694
Cn1cnnc1[C@@H](OC1CC1)c1cccc(N2Cc3c(cc(CNC4(C)CCC4)cc3C(F)(F)F)C2=O)c1
|
C28H30F3N5O2 525.575000 |
CYNIPTCGEGHUNS-DEOSSOPVSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM710694; PubChem:CID168263077
|
Local ready
Direct docking supported
|
|
E3L035404
BDB035404
|
BDBM710695
Cn1cnnc1[C@H](OC1CC1)c1cccc(N2Cc3c(cc(CNC4(C)CCC4)cc3C(F)(F)F)C2=O)c1
|
C28H30F3N5O2 525.575000 |
CYNIPTCGEGHUNS-XMMPIXPASA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM710695; PubChem:CID168262906
|
Local ready
Direct docking supported
|
|
E3L035405
BDB035405
|
BDBM710696
Cn1cnnc1[C@@H](OC1CCC1)c1cccc(N2Cc3c(cc(CNC4(C)CCC4)cc3C(F)(F)F)C2=O)c1
|
C29H32F3N5O2 539.602000 |
RBWOBRXGJWYJGA-VWLOTQADSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM710696; PubChem:CID168263000
|
Local ready
Direct docking supported
|
|
E3L035406
BDB035406
|
BDBM710697
Cn1cnnc1[C@H](OC1CCC1)c1cccc(N2Cc3c(cc(CNC4(C)CCC4)cc3C(F)(F)F)C2=O)c1
|
C29H32F3N5O2 539.602000 |
RBWOBRXGJWYJGA-RUZDIDTESA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM710697; PubChem:CID168262539
|
Local ready
Direct docking supported
|
|
E3L035407
BDB035407
|
BDBM710698
Cn1cnnc1[C@]1(c2cc(NC3CC(F)(F)C3)nc(N3Cc4c(cc(CNC5(C)CCC5)cc4C(F)(F)F)C3=O)c2)C[C@@H](C)C1
|
C32H36F5N7O 629.678000 |
GBRPACVUTURRQM-KTJIFUHRSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B, Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM710698
|
Local ready
Direct docking supported
|
|
E3L035408
BDB035408
|
BDBM710699
Cn1cnnc1[C@]1(c2cc(NC3CC(F)(F)C3)nc(N3Cc4c(cc(CNC5(C)CCC5)cc4C(F)(F)F)C3=O)c2)C[C@H](C)C1
|
C32H36F5N7O 629.678000 |
GBRPACVUTURRQM-GGCACFJLSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B, Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM710699
|
Local ready
Direct docking supported
|
|
E3L035409
BDB035409
|
BDBM710700
Cn1cnnc1[C@]1(c2cc(NC3CCCCC3)nc(N3Cc4c(cc(CNC5(C)CCC5)cc4C(F)(F)F)C3=O)c2)C[C@@H](C)C1
|
C34H42F3N7O 621.752000 |
AZGHXSKTAPLSNM-RIMNUOPMSA-N | Q13191 | Tyrosine-protein kinase Lck, E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM710700
|
Local ready
Direct docking supported
|
|
E3L035410
BDB035410
|
BDBM710701
Cn1cnnc1[C@]1(c2cc(NC3CCCCC3)nc(N3Cc4c(cc(CNC5(C)CCC5)cc4C(F)(F)F)C3=O)c2)C[C@H](C)C1
|
C34H42F3N7O 621.752000 |
AZGHXSKTAPLSNM-MNNYYHTESA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM710701
|
Local ready
Direct docking supported
|
|
E3L035411
BDB035411
|
BDBM710702
Cn1cnnc1[C@]1(c2cc(NC3CCCC3)nc(N3Cc4c(cc(CNC5(C)CCC5)cc4C(F)(F)F)C3=O)c2)C[C@@H](C)C1
|
C33H40F3N7O 607.725000 |
JJEXCYFPMUXZQV-BSUAPWOYSA-N | Q13191 | Tyrosine-protein kinase Lck, E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM710702
|
Local ready
Direct docking supported
|
|
E3L035412
BDB035412
|
BDBM710703
Cn1cnnc1[C@]1(c2cc(NC3CCCC3)nc(N3Cc4c(cc(CNC5(C)CCC5)cc4C(F)(F)F)C3=O)c2)C[C@H](C)C1
|
C33H40F3N7O 607.725000 |
JJEXCYFPMUXZQV-LPACLJBNSA-N | Q13191 | Tyrosine-protein kinase Lck, E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM710703
|
Local ready
Direct docking supported
|
|
E3L035413
BDB035413
|
BDBM710704
Cn1cnnc1[C@]1(c2cc(OC3CCCC3)nc(N3Cc4c(cc(CNC5(C)CCC5)cc4C(F)(F)F)C3=O)c2)C[C@H](C)C1
|
C33H39F3N6O2 608.709000 |
BNHYZCBZOBOXAW-LPACLJBNSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B, Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM710704
|
Local ready
Direct docking supported
|
|
E3L035414
BDB035414
|
BDBM710705
Cn1cnnc1[C@]1(c2cc(OC3CCCC3)nc(N3Cc4c(cc(CNC5(C)CCC5)cc4C(F)(F)F)C3=O)c2)C[C@@H](C)C1
|
C33H39F3N6O2 608.709000 |
BNHYZCBZOBOXAW-BSUAPWOYSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM710705
|
Local ready
Direct docking supported
|
|
E3L035415
BDB035415
|
BDBM710706
Cn1cnnc1[C@H](c1cccc(N2Cc3c(cc(CNC4(C)CCC4)cc3C(F)(F)F)C2=O)c1)N1CC(F)(F)C1
|
C28H29F5N6O 560.571000 |
HLBRRFXEKXUXQI-QHCPKHFHSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM710706; PubChem:CID168262966
|
Local ready
Direct docking supported
|
|
E3L035416
BDB035416
|
BDBM710707
Cn1cnnc1[C@@H](c1cccc(N2Cc3c(cc(CNC4(C)CCC4)cc3C(F)(F)F)C2=O)c1)N1CC(F)(F)C1
|
C28H29F5N6O 560.571000 |
HLBRRFXEKXUXQI-HSZRJFAPSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM710707; PubChem:CID168262501
|
Local ready
Direct docking supported
|
|
E3L035417
BDB035417
|
BDBM710708
Cn1cnnc1C1(c2cccc(N3Cc4c(cc(CNC5(C)CCC5)cc4C(F)(F)F)C3=O)c2)COC1
|
C27H28F3N5O2 511.548000 |
JILSITSMAZDOPL-UHFFFAOYSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B, Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM710708; PubChem:CID168263104
|
Local ready
Direct docking supported
|
|
E3L035418
BDB035418
|
BDBM710709
CCc1cc(C2(c3nncn3C)CC(F)(F)C2)cc(N2Cc3c(cc(CNC4(C)CCC4)cc3C(F)(F)F)C2=O)n1
|
C29H31F5N6O 574.598000 |
JHIHXRUQWAQQLG-UHFFFAOYSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM710709; PubChem:CID168262500
|
Local ready
Direct docking supported
|
|
E3L035419
BDB035419
|
BDBM710710
Cc1cc(C2(c3nncn3C)CC(F)(F)C2)cc(N2Cc3c(cc(CNC4(C)CCC4)cc3C(F)(F)F)C2=O)n1
|
C28H29F5N6O 560.571000 |
DVWZRVJBTIQCSD-UHFFFAOYSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM710710; PubChem:CID168262868
|
Local ready
Direct docking supported
|
|
E3L035420
BDB035420
|
BDBM710711
Cn1cnnc1C1(c2cccc(N3Cc4c(cc(CNC5(C)CCC5)cc4C(F)(F)F)C3=O)c2)CC(F)(F)C1
|
C28H28F5N5O 545.556000 |
IIDMUIQJQRELNA-UHFFFAOYSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B, Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM710711; PubChem:CID168262651
|
Local ready
Direct docking supported
|