| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L037761
BDB037761
|
BDBM742293
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c([C@@H](C)N(C#N)CCCN(C)C)nn(-c3ccccc3)c21
|
C36H37F4N7O2 675.731000 |
UWEMQJFFSFJJCC-RJXBIZKZSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742293
|
Local ready
Direct docking supported
|
|
E3L037762
BDB037762
|
BDBM742294
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(CN(C#N)CCCN3CCC4(CC3)COC4)nn(-c3ccccc3)c21
|
C40H41F4N7O3 743.806000 |
XHDOPJMSSITIHP-LRHLLKFHSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742294
|
Local ready
Direct docking supported
|
|
E3L037763
BDB037763
|
BDBM742295
CCN1C(=O)[C@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)c2c(C(=O)N3CCC[C@H]3C#N)nn(-c3cccc(OCCCN4CCC5(CC4)COC5)c3)c21
|
C44H45F4N7O5 827.880000 |
OMZNODFUSYBJOY-CVZYHWGHSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742295
|
Local ready
Direct docking supported
|
|
E3L037764
BDB037764
|
BDBM742296
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](C2CC2)c2c(C(=O)N3CCNC[C@H]3C#N)nn(C3CCOCC3)c21
|
C30H34F3N7O4 613.641000 |
WNVHCTVGBHINRG-GPXNEJASSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM742296; PubChem:CID176734027
|
Local ready
Direct docking supported
|
|
E3L037765
BDB037765
|
BDBM742297
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn([C@@H]3CCOC3)c21
|
C33H30F4N6O4 650.633000 |
OREQYUODEAONAK-SUQNHEHSSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742297
|
Local ready
Direct docking supported
|
|
E3L037766
BDB037766
|
BDBM742298
CCN1C(=O)[C@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)c2c(C(=O)N3CCC[C@H]3C#N)nn(-c3cccc(OCCN(C)C4COC4)c3)c21
|
C40H39F4N7O5 773.788000 |
TWOCSXRSVRAXFV-ABAVYFCKSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742298
|
Local ready
Direct docking supported
|
|
E3L037767
BDB037767
|
BDBM742299
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)nc2)c2c(C(=O)N3CCC[C@H]3C#N)nn(C3CC3)c21
|
C30H27F4N7O3 609.584000 |
VLBLWMNSPAJCCV-SSPYTLHUSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742299
|
Local ready
Direct docking supported
|
|
E3L037768
BDB037768
|
BDBM742300
CCN1C(=O)[C@@H](NC(=O)c2nc(C(F)(F)F)cs2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N3CCC[C@H]3C#N)nn(C3CCOCC3)c21
|
C30H29F4N7O4S 659.666000 |
LMRHVPKSDFKTBZ-RRPUWOKSSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742300
|
Local ready
Direct docking supported
|
|
E3L037769
BDB037769
|
BDBM742301
CCN1C(=O)[C@@H](NC(=O)c2ccc(N3CCN(C)CC3)cn2)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C34H43N9O4 641.777000 |
VCAWNLQWGZINDZ-YAOHRGSISA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742301
|
Local ready
Direct docking supported
|
|
E3L037770
BDB037770
|
BDBM742302
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](C2CC2)c2c(C(=O)N(C)[C@H](C#N)CCN(C)C)nn(C3CCOCC3)c21
|
C32H40F3N7O4 643.711000 |
OCDMNRPVRCWTFW-GNKBHMEESA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742302
|
Local ready
Direct docking supported
|
|
E3L037771
BDB037771
|
BDBM742303
CCN1C(=O)[C@@H](NC(=O)c2cncc(C(F)(F)F)n2)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C29H31F3N8O4 612.613000 |
BSIPDUAYXITUQI-INYLATNWSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742303
|
Local ready
Direct docking supported
|
|
E3L037772
BDB037772
|
BDBM742304
CCN1C(=O)[C@@H](NC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C33H36N8O5 624.702000 |
OSCKJUQXCMASGX-BCJOVLNWSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742304
|
Local ready
Direct docking supported
|
|
E3L037773
BDB037773
|
BDBM742305
CCN1C(=O)[C@@H](NC(=O)Cc2cccc(C(F)(F)F)c2)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C32H35F3N6O4 624.664000 |
OVXDPADRYUJAHS-HDYBBPPLSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742305
|
Local ready
Direct docking supported
|
|
E3L037774
BDB037774
|
BDBM742306
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](C2CCC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C32H35F3N6O4 624.664000 |
GVFOPDFEKXECIU-JTIVYOABSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742306
|
Local ready
Direct docking supported
|
|
E3L037775
BDB037775
|
BDBM742307
C#C[C@@H]1CCCN1C(=O)c1nn(C2CCOCC2)c2c1[C@H](C1CC1)[C@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)N2CC
|
C31H34F3N5O4 597.638000 |
GVCPURAWJSKOPL-VTZPFEBOSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742307
|
Local ready
Direct docking supported
|
|
E3L037776
BDB037776
|
BDBM742308
CCN1C(=O)[C@@H](NC(=O)Cc2ccccc2)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C31H36N6O4 556.667000 |
LVRJYRUEDVZYPK-GRIITUMPSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742308
|
Local ready
Direct docking supported
|
|
E3L037777
BDB037777
|
BDBM742309
CCN1C(=O)[C@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(CN3C(=O)CC[C@H]3C#N)nn(-c3ccccc3)c21
|
C34H28F4N6O3 644.629000 |
LJRNCONHSKXZKK-QPLJZLFBSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742309
|
Local ready
Direct docking supported
|
|
E3L037778
BDB037778
|
BDBM742310
CCN1C(=O)[C@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)c2c([C@@H](C)NC#N)nn(C3CCOCC3)c21
|
C30H30F4N6O3 598.601000 |
BXRRDBAMOVTPDY-RXMJPHHWSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM742310; PubChem:CID176734038
|
Local ready
Direct docking supported
|
|
E3L037779
BDB037779
|
BDBM742311
CCN1C(=O)[C@@H](NC(=O)C2CCOc3ccccc32)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C33H38N6O5 598.704000 |
FZDLVPVBGJIVGW-LWDPSIAOSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742311
|
Local ready
Direct docking supported
|
|
E3L037780
BDB037780
|
BDBM742312
CCN1C(=O)[C@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@H](C)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C29H31F3N6O4 584.599000 |
LSQZUIWTYQIJEX-BBCOPCLVSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742312
|
Local ready
Direct docking supported
|