| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L035841
BDB035841
|
BDBM711138
CO[C@H]1C[C@](c2cccc(N3Cc4c(cc(CNC5CC(C)(F)C5)cc4C(F)(F)F)C3=O)c2)(c2nncn2C)C1
|
C29H31F4N5O2 557.592000 |
WOUDYEFJPOTAMK-VEJUESBBSA-N | Q13191 | Tyrosine-protein kinase Lck, E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM711138
|
Local ready
Direct docking supported
|
|
E3L035842
BDB035842
|
BDBM711140
CO[C@H]1C[C@](c2cccc(N3Cc4c(cc(CNCCC5CCC5(F)F)cc4C(F)(F)F)C3=O)c2)(c2nncn2C)C1
|
C30H32F5N5O2 589.609000 |
PSNSMTYMUQXKGN-GYSAMXCPSA-N | Q13191 | Tyrosine-protein kinase Lck, E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM711140
|
Local ready
Direct docking supported
|
|
E3L035843
BDB035843
|
BDBM711141
CO[C@H]1C[C@](c2cccc(N3Cc4c(cc(CNC5C[C@@H]6C[C@H]5CO6)cc4C(F)(F)F)C3=O)c2)(c2nncn2C)C1
|
C30H32F3N5O3 567.612000 |
WIUZIHDYUXWYAK-PIAMLWCESA-N | Q13191 | Tyrosine-protein kinase Lck, E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM711141
|
Local ready
Direct docking supported
|
|
E3L035844
BDB035844
|
BDBM711142
CO[C@H]1C[C@](c2cccc(N3Cc4c(cc(CNCC5(C)CC5(F)F)cc4C(F)(F)F)C3=O)c2)(c2nncn2C)C1
|
C29H30F5N5O2 575.582000 |
LBYXRPIRNUXBME-VPEQJFMMSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B, Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM711142
|
Local ready
Direct docking supported
|
|
E3L035845
BDB035845
|
BDBM711143
CO[C@H]1C[C@](c2cccc(N3Cc4c(cc(CN[C@@H]5C[C@H]5C)cc4C(F)(F)F)C3=O)c2)(c2nncn2C)C1
|
C28H30F3N5O2 525.575000 |
AIAOQIKSQNONHC-AJBYZODWSA-N | Q13191 | Tyrosine-protein kinase Lck, E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM711143
|
Local ready
Direct docking supported
|
|
E3L035846
BDB035846
|
BDBM711144
CO[C@H]1C[C@](c2cccc(N3Cc4c(cc(CNC[C@@H]5[C@@H](C)C5(F)F)cc4C(F)(F)F)C3=O)c2)(c2nncn2C)C1
|
C29H30F5N5O2 575.582000 |
YUHZJDRGEZEUPG-AJBYZODWSA-N | Q13191 | Tyrosine-protein kinase Lck, E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM711144
|
Local ready
Direct docking supported
|
|
E3L035847
BDB035847
|
BDBM711145
CO[C@H]1C[C@](c2cccc(N3Cc4c(cc(CNC5CC6(C5)CC6F)cc4C(F)(F)F)C3=O)c2)(c2nncn2C)C1
|
C30H31F4N5O2 569.603000 |
PFZMYXREESNCJF-QINFGGLRSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B, Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM711145
|
Local ready
Direct docking supported
|
|
E3L035848
BDB035848
|
BDBM711146
CO[C@H]1C[C@](c2cccc(N3Cc4c(cc(CNC5CC(C#N)C5)cc4C(F)(F)F)C3=O)c2)(c2nncn2C)C1
|
C29H29F3N6O2 550.585000 |
YWBVWSHNELZBSY-ZZVSDGIASA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B, Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM711146
|
Local ready
Direct docking supported
|
|
E3L035849
BDB035849
|
BDBM711147
CO[C@H]1C[C@](c2cccc(N3Cc4c(cc(CN[C@@H]5C[C@H]5C(C)(F)F)cc4C(F)(F)F)C3=O)c2)(c2nncn2C)C1
|
C29H30F5N5O2 575.582000 |
ZJEYVWREWRETNW-TYYKAFGVSA-N | Q13191 | Tyrosine-protein kinase Lck, E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM711147
|
Local ready
Direct docking supported
|
|
E3L035850
BDB035850
|
BDBM711148
CO[C@H]1C[C@](c2cccc(N3Cc4c(cc(CNCC5(CF)CCC5)cc4C(F)(F)F)C3=O)c2)(c2nncn2C)C1
|
C30H33F4N5O2 571.619000 |
LFWZBKOBTWZOSO-FXBOJIBUSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B, Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM711148
|
Local ready
Direct docking supported
|
|
E3L035851
BDB035851
|
BDBM711149
CO[C@H]1C[C@](c2cccc(N3Cc4c(cc(CN[C@@]56CCC[C@@H]5C6)cc4C(F)(F)F)C3=O)c2)(c2nncn2C)C1
|
C30H32F3N5O2 551.613000 |
HNVQTCZBDLZQLO-ZLCYYFEJSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B, Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM711149
|
Local ready
Direct docking supported
|
|
E3L035852
BDB035852
|
BDBM711150
CO[C@H]1C[C@](c2cccc(N3Cc4c(cc(CNCC5(CO)CC6CC6C5)cc4C(F)(F)F)C3=O)c2)(c2nncn2C)C1
|
C32H36F3N5O3 595.666000 |
YPPGPXJUUHDCJU-RRIVBHOGSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B, Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM711150
|
Local ready
Direct docking supported
|
|
E3L035853
BDB035853
|
BDBM711151
CO[C@H]1C[C@](c2cccc(N3Cc4c(cc(CNCC5CC56CC6(F)F)cc4C(F)(F)F)C3=O)c2)(c2nncn2C)C1
|
C30H30F5N5O2 587.593000 |
PLJFMBJRCTXQIB-FCJCLRCHSA-N | Q13191 | Tyrosine-protein kinase Lck, E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM711151
|
Local ready
Direct docking supported
|
|
E3L035854
BDB035854
|
BDBM711152
CCCNCc1cc2c(c(C(F)(F)F)c1)CN(c1cccc([C@]3(c4nncn4C)C[C@H](OC)C3)c1)C2=O
|
C27H30F3N5O2 513.564000 |
AIEXZXMQDAIFBL-AEEMYVKYSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B, Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM711152
|
Local ready
Direct docking supported
|
|
E3L035855
BDB035855
|
BDBM712321
Nc1ncnc2c1ncn2CC1=CC(c2cc(F)c(O)cc2F)=NCC1N1CCC[C@](N)([C@H](O)C(F)F)C1
|
C24H26F4N8O2 534.518000 |
BNVGVMSVYCEWGC-GXQNRAESSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM712321; PubChem:CID175664933
|
Local ready
Direct docking supported
|
|
E3L035856
BDB035856
|
BDBM712326
COC(=O)COc1cc(F)c(-c2cc(Cn3cnc4c(N)ncnc43)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F
|
C27H28F4N8O4 604.565000 |
XVBUVZAYTMVGBT-YIXXDRMTSA-N | O96028, Q96L73 | Histone-lysine N-methyltransferase NSD2, Histone-lysine N-methyltransferase, H3 lysine-36 specific |
BindingDB, PubChem
BindingDB:BDBM712326; PubChem:CID175664935
|
Local ready
Direct docking supported
|
|
E3L035857
BDB035857
|
BDBM717574
CCC1=Cc2ncc(CN3CC4CN(c5ccc(C(=O)NC)nc5)CC4C3)cc2CC1=O
|
C25H29N5O2 431.540000 |
QUVWUTAYZQTPCY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM717574; PubChem:CID175680475
|
Local ready
Direct docking supported
|
|
E3L035858
BDB035858
|
BDBM717575
CCc1cc2ncc(CN3C4CCC3CN(c3ccc(C(=O)NC)nc3)C4)cc2[nH]c1=O
|
C24H28N6O2 432.528000 |
TVGCMBWIUHPXEY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM717575; PubChem:CID168177328
|
Local ready
Direct docking supported
|
|
E3L035859
BDB035859
|
BDBM717582
CCc1cc2ncc(CN3CC=C(c4ccc(C(=O)Nc5cnn(C)c5)nc4)CC3)cc2[nH]c1=O
|
C26H27N7O2 469.549000 |
GCTCHXOFULIICJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM717582; PubChem:CID168177313
|
Local ready
Direct docking supported
|
|
E3L035860
BDB035860
|
BDBM717583
CCc1cc2ncc(CN3CC=C(c4ccc(NC(=O)C5CC5)nc4)CC3)cc2[nH]c1=O
|
C25H27N5O2 429.524000 |
RIIWDNHOJYCKEN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM717583; PubChem:CID168177321
|
Local ready
Direct docking supported
|