| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L034561
BDB034561
|
BDBM694636
O=C(CC[C@@H]1C[C@@H](Oc2cncnc2)CN1c1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
|
C25H25F6N9O3 613.523000 |
QLYVSWKZQOGBDI-IAGOWNOFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694636; PubChem:CID167229099
|
Local ready
Direct docking supported
|
|
E3L034562
BDB034562
|
BDBM694637
O=C([C@@H]1C[C@H](Oc2ccccc2)CN1c1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
|
C25H23F6N7O3 583.493000 |
LVTXKTNJLIESPY-HKUYNNGSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694637; PubChem:CID167229022
|
Local ready
Direct docking supported
|
|
E3L034563
BDB034563
|
BDBM694638
O=C([C@@H]1C[C@H](Oc2ccccc2F)CN1c1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
|
C25H22F7N7O3 601.483000 |
GDBMYUZWALCIHT-YJBOKZPZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM694638; PubChem:CID167229019
|
Local ready
Direct docking supported
|
|
E3L034564
BDB034564
|
BDBM695931
C[C@@H](c1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)COC3)c2)nc(C(F)(F)F)c1)N1CC(F)C1
|
C25H26F4N6O2 518.515000 |
GWSPVHFKPLDFRP-HNNXBMFYSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695931; PubChem:CID164869452
|
Local ready
Direct docking supported
|
|
E3L034565
BDB034565
|
BDBM695934
C[C@H](c1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)COC3)c2)nc(C(F)(F)F)c1)N1CC(F)C1
|
C25H26F4N6O2 518.515000 |
GWSPVHFKPLDFRP-OAHLLOKOSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695934; PubChem:CID164869479
|
Local ready
Direct docking supported
|
|
E3L034566
BDB034566
|
BDBM695936
C[C@@H](c1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)COC3)c2)nc(C(F)(F)F)c1)N1CCC2(CC2)C1
|
C28H31F3N6O2 540.590000 |
RINIWNJYMFMKFF-SFHVURJKSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695936; PubChem:CID164869437
|
Local ready
Direct docking supported
|
|
E3L034567
BDB034567
|
BDBM695943
C[C@H](c1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)COC3)c2)nc(C(F)(F)F)c1)N1CCC2(CC2)C1
|
C28H31F3N6O2 540.590000 |
RINIWNJYMFMKFF-GOSISDBHSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695943; PubChem:CID164869430
|
Local ready
Direct docking supported
|
|
E3L034568
BDB034568
|
BDBM695944
Cn1cnnc1[C@H](F)C1(c2cccc(NC(=O)c3cc(CN4CCC5(CC5)C4)cc(C4CC4)n3)c2)COC1
|
C29H33FN6O2 516.621000 |
VRIUQJQJYNDQLN-VWLOTQADSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695944; PubChem:CID164869485
|
Local ready
Direct docking supported
|
|
E3L034569
BDB034569
|
BDBM695953
Cn1cnnc1[C@@H](F)C1(c2cccc(NC(=O)c3cc(CN4CCC5(CC5)C4)cc(C4CC4)n3)c2)COC1
|
C29H33FN6O2 516.621000 |
VRIUQJQJYNDQLN-RUZDIDTESA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695953; PubChem:CID164869451
|
Local ready
Direct docking supported
|
|
E3L034570
BDB034570
|
BDBM695954
Cn1cnnc1[C@H](F)C1(c2cccc(NC(=O)c3cc(CN4CC(C)(F)C4)cc(C4CC4)n3)c2)COC1
|
C27H30F2N6O2 508.573000 |
SKUNXDUZLHEMIR-QHCPKHFHSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695954; PubChem:CID164869412
|
Local ready
Direct docking supported
|
|
E3L034571
BDB034571
|
BDBM695955
Cn1cnnc1[C@@H](F)C1(c2cccc(NC(=O)c3cc(CN4CC(C)(F)C4)cc(C4CC4)n3)c2)COC1
|
C27H30F2N6O2 508.573000 |
SKUNXDUZLHEMIR-HSZRJFAPSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695955; PubChem:CID164869431
|
Local ready
Direct docking supported
|
|
E3L034572
BDB034572
|
BDBM695956
Cn1cnnc1CC1(c2cccc(NC(=O)c3cccc(C(F)(F)F)n3)c2)CC(F)(F)C1
|
C21H18F5N5O 451.399000 |
AUGPUSWHUWZJRQ-UHFFFAOYSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695956; PubChem:CID164869489
|
Local ready
Direct docking supported
|
|
E3L034573
BDB034573
|
BDBM695957
Cn1cnnc1C[C@]1(c2cccc(NC(=O)c3cccc(C(F)(F)F)n3)c2)C[C@H](F)C1
|
C21H19F4N5O 433.409000 |
JNZIRECLXABJAK-OYOVHJISSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM695957
|
Local ready
Direct docking supported
|
|
E3L034574
BDB034574
|
BDBM695958
Cn1cnnc1C[C@]1(c2cccc(NC(=O)c3cccc(C(F)(F)F)n3)c2)C[C@@H](F)C1
|
C21H19F4N5O 433.409000 |
JNZIRECLXABJAK-LDTOLXSISA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM695958
|
Local ready
Direct docking supported
|
|
E3L034575
BDB034575
|
BDBM695959
Cn1cnnc1[C@H](F)C1(c2cccc(NC(=O)c3cc(CN4CC(C)(F)C4)nc(C4CC4)n3)c2)COC1
|
C26H29F2N7O2 509.561000 |
YNZKORFXUFIALE-NRFANRHFSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695959; PubChem:CID164869393
|
Local ready
Direct docking supported
|
|
E3L034576
BDB034576
|
BDBM695960
Cn1cnnc1[C@@H](F)C1(c2cccc(NC(=O)c3cc(CN4CC(C)(F)C4)nc(C4CC4)n3)c2)COC1
|
C26H29F2N7O2 509.561000 |
YNZKORFXUFIALE-OAQYLSRUSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695960; PubChem:CID164869468
|
Local ready
Direct docking supported
|
|
E3L034577
BDB034577
|
BDBM695961
C[C@@H](c1cc(C(=O)Nc2cccc(C3([C@@H](F)c4nncn4C)COC3)c2)nc(C2CC2)c1)N1CCC2(CC2)C1
|
C30H35FN6O2 530.648000 |
PUYCNQVWOQJNFM-SIBVEZHUSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695961; PubChem:CID164869405
|
Local ready
Direct docking supported
|
|
E3L034578
BDB034578
|
BDBM695962
C[C@H](c1cc(C(=O)Nc2cccc(C3([C@@H](F)c4nncn4C)COC3)c2)nc(C2CC2)c1)N1CCC2(CC2)C1
|
C30H35FN6O2 530.648000 |
PUYCNQVWOQJNFM-BCHFMIIMSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695962; PubChem:CID164869434
|
Local ready
Direct docking supported
|
|
E3L034579
BDB034579
|
BDBM695963
C[C@@H](c1cc(C(=O)Nc2cccc(C3([C@H](F)c4nncn4C)COC3)c2)nc(C2CC2)c1)N1CCC2(CC2)C1
|
C30H35FN6O2 530.648000 |
PUYCNQVWOQJNFM-AFMDSPMNSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695963; PubChem:CID164869403
|
Local ready
Direct docking supported
|
|
E3L034580
BDB034580
|
BDBM695964
C[C@H](c1cc(C(=O)Nc2cccc(C3([C@H](F)c4nncn4C)COC3)c2)nc(C2CC2)c1)N1CCC2(CC2)C1
|
C30H35FN6O2 530.648000 |
PUYCNQVWOQJNFM-NIYFSFCBSA-N | Q13191 | Tyrosine-protein kinase Lck |
BindingDB, PubChem
BindingDB:BDBM695964; PubChem:CID164869480
|
Local ready
Direct docking supported
|