| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L034581
BDB034581
|
BDBM695965
C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2nc(C(F)(F)F)c(CN3CCC4(CC4)C3)[nH]2)c1
|
C24H28F3N7O 487.530000 |
CXGQRFNTJMSHTL-OAHLLOKOSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695965; PubChem:CID164869469
|
Local ready
Direct docking supported
|
|
E3L034582
BDB034582
|
BDBM695966
Cn1cnnc1[C@H](F)[C@](C)(F)c1cccc(NC(=O)c2cc(CN3CCC4(CC4)C3)cc(C3CC3)n2)c1
|
C28H32F2N6O 506.601000 |
ICDVQVOZHFENHX-RPLLCQBOSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695966; PubChem:CID164869461
|
Local ready
Direct docking supported
|
|
E3L034583
BDB034583
|
BDBM695967
Cn1cnnc1[C@H](F)[C@@](C)(F)c1cccc(NC(=O)c2cc(CN3CCC4(CC4)C3)cc(C3CC3)n2)c1
|
C28H32F2N6O 506.601000 |
ICDVQVOZHFENHX-IGKIAQTJSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695967; PubChem:CID169226408
|
Local ready
Direct docking supported
|
|
E3L034584
BDB034584
|
BDBM695968
Cn1cnnc1[C@@H](F)[C@@](C)(F)c1cccc(NC(=O)c2cc(CN3CCC4(CC4)C3)cc(C3CC3)n2)c1
|
C28H32F2N6O 506.601000 |
ICDVQVOZHFENHX-SQHAQQRYSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695968; PubChem:CID164869476
|
Local ready
Direct docking supported
|
|
E3L034585
BDB034585
|
BDBM695969
Cn1cnnc1[C@@H](F)[C@](C)(F)c1cccc(NC(=O)c2cc(CN3CCC4(CC4)C3)cc(C3CC3)n2)c1
|
C28H32F2N6O 506.601000 |
ICDVQVOZHFENHX-SHQCIBLASA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695969; PubChem:CID164869397
|
Local ready
Direct docking supported
|
|
E3L034586
BDB034586
|
BDBM695971
Cn1cnnc1[C@H](F)[C@@](C)(F)c1cccc(NC(=O)c2cc(CN3CCC4(CC4)C3)nc(C3CC3)n2)c1
|
C27H31F2N7O 507.589000 |
YTFMMNXLFSPQAG-NVQXNPDNSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695971; PubChem:CID164869495
|
Local ready
Direct docking supported
|
|
E3L034587
BDB034587
|
BDBM695972
Cn1cnnc1[C@@H](F)[C@@](C)(F)c1cccc(NC(=O)c2cc(CN3CCC4(CC4)C3)nc(C3CC3)n2)c1
|
C27H31F2N7O 507.589000 |
YTFMMNXLFSPQAG-GJZUVCINSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695972; PubChem:CID164869442
|
Local ready
Direct docking supported
|
|
E3L034588
BDB034588
|
BDBM695973
Cn1cnnc1[C@@H](F)[C@](C)(F)c1cccc(NC(=O)c2cc(CN3CCC4(CC4)C3)nc(C3CC3)n2)c1
|
C27H31F2N7O 507.589000 |
YTFMMNXLFSPQAG-ATIYNZHBSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695973; PubChem:CID164869464
|
Local ready
Direct docking supported
|
|
E3L034589
BDB034589
|
BDBM695974
Cn1cnnc1[C@H](F)[C@](C)(F)c1cccc(NC(=O)c2cc(CN3CC(C)(F)C3)nc(C3CC3)n2)c1
|
C25H28F3N7O 499.541000 |
USTUDQXLAUNNGQ-NBGIEHNGSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM695974
|
Local ready
Direct docking supported
|
|
E3L034590
BDB034590
|
BDBM695975
Cn1cnnc1[C@H](F)[C@@](C)(F)c1cccc(NC(=O)c2cc(CN3CC(C)(F)C3)nc(C3CC3)n2)c1
|
C25H28F3N7O 499.541000 |
USTUDQXLAUNNGQ-CPJSRVTESA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695975; PubChem:CID164869486
|
Local ready
Direct docking supported
|
|
E3L034591
BDB034591
|
BDBM695976
Cn1cnnc1[C@@H](F)[C@](C)(F)c1cccc(NC(=O)c2cc(CN3CC(C)(F)C3)nc(C3CC3)n2)c1
|
C25H28F3N7O 499.541000 |
USTUDQXLAUNNGQ-CJFMBICVSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM695976
|
Local ready
Direct docking supported
|
|
E3L034592
BDB034592
|
BDBM695977
Cn1cnnc1[C@@H](F)[C@@](C)(F)c1cccc(NC(=O)c2cc(CN3CC(C)(F)C3)nc(C3CC3)n2)c1
|
C25H28F3N7O 499.541000 |
USTUDQXLAUNNGQ-NLFFAJNJSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM695977
|
Local ready
Direct docking supported
|
|
E3L034593
BDB034593
|
BDBM695978
Cn1cnnc1[C@H](F)C1(c2cccc(NC(=O)c3cc(CN4CC(C)(F)C4)cc(C(F)(F)F)n3)c2)COC1
|
C25H25F5N6O2 536.505000 |
OQIVFGAQYIHNGG-FQEVSTJZSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695978; PubChem:CID164869458
|
Local ready
Direct docking supported
|
|
E3L034594
BDB034594
|
BDBM695979
Cn1cnnc1[C@@H](F)C1(c2cccc(NC(=O)c3cc(CN4CC(C)(F)C4)cc(C(F)(F)F)n3)c2)COC1
|
C25H25F5N6O2 536.505000 |
OQIVFGAQYIHNGG-HXUWFJFHSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695979; PubChem:CID164869435
|
Local ready
Direct docking supported
|
|
E3L034595
BDB034595
|
BDBM695980
Cn1cnnc1[C@H](F)C1(c2cccc(NC(=O)c3cc(CN4CCC5(CC5)C4)nc(C4CC4)n3)c2)COC1
|
C28H32FN7O2 517.609000 |
VPDLXUZRAXKLDC-QHCPKHFHSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695980; PubChem:CID164869404
|
Local ready
Direct docking supported
|
|
E3L034596
BDB034596
|
BDBM695981
Cn1cnnc1[C@@H](F)C1(c2cccc(NC(=O)c3cc(CN4CCC5(CC5)C4)nc(C4CC4)n3)c2)COC1
|
C28H32FN7O2 517.609000 |
VPDLXUZRAXKLDC-HSZRJFAPSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695981; PubChem:CID164869416
|
Local ready
Direct docking supported
|
|
E3L034597
BDB034597
|
BDBM695982
Cn1cnnc1[C@H](F)C1(c2cccc(NC(=O)c3cc(CN)cc(C(F)(F)F)n3)c2)COC1
|
C21H20F4N6O2 464.423000 |
HAXZXLAWHRTURH-KRWDZBQOSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695982; PubChem:CID164869424
|
Local ready
Direct docking supported
|
|
E3L034598
BDB034598
|
BDBM695983
Cn1cnnc1[C@@H](F)C1(c2cccc(NC(=O)c3cc(CN)cc(C(F)(F)F)n3)c2)COC1
|
C21H20F4N6O2 464.423000 |
HAXZXLAWHRTURH-QGZVFWFLSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695983; PubChem:CID164869475
|
Local ready
Direct docking supported
|
|
E3L034599
BDB034599
|
BDBM695984
CN(C)Cc1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)COC3)c2)nc(C(F)(F)F)c1
|
C23H25F3N6O2 474.487000 |
UUYUXSKLYUOUAO-UHFFFAOYSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695984; PubChem:CID164869455
|
Local ready
Direct docking supported
|
|
E3L034600
BDB034600
|
BDBM695985
Cn1cnnc1CC1(c2cccc(NC(=O)c3cc(CN4CCC5(CC5)C4)cc(C(F)(F)F)n3)c2)COC1
|
C27H29F3N6O2 526.563000 |
UWHWOBVQYNJDDQ-UHFFFAOYSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695985; PubChem:CID164869406
|
Local ready
Direct docking supported
|