| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L034601
BDB034601
|
BDBM695986
C[C@@H](c1cc(C(=O)Nc2cccc(C3([C@@H](F)c4nncn4C)COC3)c2)nc(C2CC2)c1)N1CC(C)(F)C1
|
C28H32F2N6O2 522.600000 |
MSSMKXRNNSJWDA-XDHUDOTRSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695986; PubChem:CID164869481
|
Local ready
Direct docking supported
|
|
E3L034602
BDB034602
|
BDBM695987
C[C@H](c1cc(C(=O)Nc2cccc(C3([C@@H](F)c4nncn4C)COC3)c2)nc(C2CC2)c1)N1CC(C)(F)C1
|
C28H32F2N6O2 522.600000 |
MSSMKXRNNSJWDA-OSPHWJPCSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695987; PubChem:CID164869490
|
Local ready
Direct docking supported
|
|
E3L034603
BDB034603
|
BDBM695988
C[C@@H](c1cc(C(=O)Nc2cccc(C3([C@H](F)c4nncn4C)COC3)c2)nc(C2CC2)c1)N1CC(C)(F)C1
|
C28H32F2N6O2 522.600000 |
MSSMKXRNNSJWDA-BXKMTCNYSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695988; PubChem:CID164869493
|
Local ready
Direct docking supported
|
|
E3L034604
BDB034604
|
BDBM695989
C[C@H](c1cc(C(=O)Nc2cccc(C3([C@H](F)c4nncn4C)COC3)c2)nc(C2CC2)c1)N1CC(C)(F)C1
|
C28H32F2N6O2 522.600000 |
MSSMKXRNNSJWDA-MZNJEOGPSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695989; PubChem:CID164869487
|
Local ready
Direct docking supported
|
|
E3L034605
BDB034605
|
BDBM695990
C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2nc(C(F)(F)F)cn2C)c1
|
C18H19F3N6O 392.385000 |
BEVZJTTYCCJRSH-LLVKDONJSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695990; PubChem:CID164869400
|
Local ready
Direct docking supported
|
|
E3L034606
BDB034606
|
BDBM695991
C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2nc(C3CC3)c[nH]2)c1
|
C19H22N6O 350.426000 |
LAZQFYIIYLWXLE-GFCCVEGCSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695991; PubChem:CID164869440
|
Local ready
Direct docking supported
|
|
E3L034607
BDB034607
|
BDBM695992
Cn1cnnc1CC1(c2cccc(NC(=O)c3nc(C(F)(F)F)c[nH]3)c2)COC1
|
C18H17F3N6O2 406.368000 |
QXGCVNABUQNSJD-UHFFFAOYSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695992; PubChem:CID164869410
|
Local ready
Direct docking supported
|
|
E3L034608
BDB034608
|
BDBM695993
Cn1cnnc1C(F)C1(c2cccc(NC(=O)c3nc(C(F)(F)F)c[nH]3)c2)COC1
|
C18H16F4N6O2 424.358000 |
LLTXLHCDOFVYSE-UHFFFAOYSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695993; PubChem:CID164869471
|
Local ready
Direct docking supported
|
|
E3L034609
BDB034609
|
BDBM695994
CC(C)[C@H]1CN(C)CCN1Cc1cc(C(=O)Nc2cccc(C3([C@H](F)c4nncn4C)CC(F)(F)C3)c2)nc(C2CC2)c1
|
C32H40F3N7O 595.714000 |
ITOYFVXIFVKLPE-VSGBNLITSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM695994
|
Local ready
Direct docking supported
|
|
E3L034610
BDB034610
|
BDBM695995
CC(C)[C@H]1CN(C)CCN1Cc1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)CC(F)(F)C3)c2)nc(C2CC2)c1
|
C32H41F2N7O 577.724000 |
XMQIODWUIJUJJD-MUUNZHRXSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695995; PubChem:CID164869415
|
Local ready
Direct docking supported
|
|
E3L034611
BDB034611
|
BDBM695996
CC(C)[C@H]1CN(C)CCN1Cc1ccnc(C(=O)Nc2cccc(C3([C@@H](F)c4nncn4C)CC(F)(F)C3)c2)c1
|
C29H36F3N7O 555.649000 |
KDECHCJXHUFNIN-RPBOFIJWSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM695996
|
Local ready
Direct docking supported
|
|
E3L034612
BDB034612
|
BDBM695997
Cn1cnnc1CC1(c2cccc(NC(=O)c3cc(CN4CC(C)(O)C4)cc(C4CC4)n3)c2)CC(F)(F)C1
|
C28H32F2N6O2 522.600000 |
KKJRTNXDKLIFKX-UHFFFAOYSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695997; PubChem:CID164869413
|
Local ready
Direct docking supported
|
|
E3L034613
BDB034613
|
BDBM695998
Cn1cnnc1CC1(c2cccc(NC(=O)c3cc(CN4CC(C)(CO)C4)cc(C4CC4)n3)c2)CC(F)(F)C1
|
C29H34F2N6O2 536.627000 |
AWACZSHJQOLUOV-UHFFFAOYSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695998; PubChem:CID164869398
|
Local ready
Direct docking supported
|
|
E3L034614
BDB034614
|
BDBM695999
Cn1cnnc1[C@H](F)C1(c2cccc(NC(=O)c3cc(CN4CC(C)(CO)C4)cc(C4CC4)n3)c2)CC(F)(F)C1
|
C29H33F3N6O2 554.617000 |
AYCOKUHCRMIOJQ-DEOSSOPVSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM695999
|
Local ready
Direct docking supported
|
|
E3L034615
BDB034615
|
BDBM696000
CC(C)[C@H]1CN(C)CCN1Cc1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)COC3)c2)nc(C2CC2)c1
|
C31H41N7O2 543.716000 |
OECKUNKMKVTWCA-MUUNZHRXSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM696000; PubChem:CID164869444
|
Local ready
Direct docking supported
|
|
E3L034616
BDB034616
|
BDBM696001
CC(C)[C@H]1CN(C)CCN1Cc1cc(C(=O)Nc2cccc(C3([C@@H](F)c4nncn4C)COC3)c2)nc(C2CC2)c1
|
C31H40FN7O2 561.706000 |
ADWBUODILRPWSO-IZLXSDGUSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM696001; PubChem:CID164869470
|
Local ready
Direct docking supported
|
|
E3L034617
BDB034617
|
BDBM696002
CC(C)[C@H]1CN(C)CCN1Cc1cc(C(=O)Nc2cccc(C3([C@H](F)c4nncn4C)COC3)c2)nc(C2CC2)c1
|
C31H40FN7O2 561.706000 |
ADWBUODILRPWSO-VSGBNLITSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM696002; PubChem:CID164869448
|
Local ready
Direct docking supported
|
|
E3L034618
BDB034618
|
BDBM696003
Cn1cnnc1[C@H](F)[C@@]1(c2cccc(NC(=O)c3cccc(C(F)(F)F)n3)c2)CCO1
|
C20H17F4N5O2 435.381000 |
LCFWYEVJVGYQMM-LPHOPBHVSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM696003; PubChem:CID164869484
|
Local ready
Direct docking supported
|
|
E3L034619
BDB034619
|
BDBM696004
Cn1cnnc1[C@@H](F)[C@@]1(c2cccc(NC(=O)c3cccc(C(F)(F)F)n3)c2)CCO1
|
C20H17F4N5O2 435.381000 |
LCFWYEVJVGYQMM-APWZRJJASA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM696004; PubChem:CID164869436
|
Local ready
Direct docking supported
|
|
E3L034620
BDB034620
|
BDBM696005
Cn1cnnc1[C@H](F)[C@]1(c2cccc(NC(=O)c3cccc(C(F)(F)F)n3)c2)CCO1
|
C20H17F4N5O2 435.381000 |
LCFWYEVJVGYQMM-QFBILLFUSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM696005; PubChem:CID164869462
|
Local ready
Direct docking supported
|