| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L041861
BDB041861
|
BDBM775475
C=C(CN1CCC1)C(=O)NCc1cccc([C@@H]2c3c(C)nn(-c4ccccc4)c3N(CC)C(=O)[C@H]2NC(=O)c2cccc(C(F)(F)F)c2)c1
|
C37H37F3N6O3 670.736000 |
SEJQSVQXUMYFFS-ZWXJPIIXSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM775475
|
Local ready
Direct docking supported
|
|
E3L041862
BDB041862
|
BDBM775476
C=C(CN1CC2(COC2)C1)C(=O)NCc1cccc([C@H]2c3c(C)nn(-c4ccccc4)c3N(CC)C(=O)[C@H]2NC(=O)c2cccc(C(F)(F)F)c2)c1
|
C39H39F3N6O4 712.773000 |
COZDCZYUIUJCAK-LQJZCPKCSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM775476
|
Local ready
Direct docking supported
|
|
E3L041863
BDB041863
|
BDBM775477
C=C(C(=O)NCc1cccc([C@@H]2c3cnn(-c4ccccc4)c3N(CC)C(=O)[C@H]2NC(=O)c2csc(C(F)(F)F)n2)c1)C(C)N(C)C1COC1
|
C35H36F3N7O4S 707.779000 |
HFXSAIXISQAMTQ-YOZFVKLBSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM775477
|
Local ready
Direct docking supported
|
|
E3L041864
BDB041864
|
BDBM775478
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@H](c2cccc(CNC/C=C/C(=O)OC(C)(C)C)c2)c2cnn(-c3ccccc3)c21
|
C37H38F3N5O4 673.736000 |
JORBSTDRUYDQRQ-CXQWJLDZSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM775478
|
Local ready
Direct docking supported
|
|
E3L041865
BDB041865
|
BDBM775479
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@H](c2cccc(CNC/C=C/C(=O)N3CCCC3)c2)c2cnn(-c3ccccc3)c21
|
C37H37F3N6O3 670.736000 |
UJVBFCVDVGZYQD-WZMFNJELSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM775479
|
Local ready
Direct docking supported
|
|
E3L041866
BDB041866
|
BDBM775480
C=C(CN1CCOCC1)C(=O)NCc1cccc([C@@H]2c3cnn(-c4ccccc4)c3N(CC)C(=O)[C@H]2NC(=O)c2ccn(C(F)F)n2)c1
|
C34H36F2N8O4 658.710000 |
XQFFBEDPSIUJTF-WDYNHAJCSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM775480
|
Local ready
Direct docking supported
|
|
E3L041867
BDB041867
|
BDBM775481
C/C=C(\CN1CCC1)C(=O)NCc1cccc([C@@H]2c3cnn(-c4ccccc4)c3N(CC)C(=O)[C@H]2NC(=O)c2ccn(C3CC3)n2)c1
|
C36H40N8O3 632.769000 |
RYDNHERFHMAKEU-MTMVFUKDSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM775481
|
Local ready
Direct docking supported
|
|
E3L041868
BDB041868
|
BDBM775482
C=C(C(=O)NCc1cccc([C@@H]2c3cnn(-c4ccccc4)c3N(CC)C(=O)[C@H]2NC(=O)c2nccc(C(F)(F)F)n2)c1)C(C)N1CCN(C2COC2)CC1
|
C39H42F3N9O4 757.818000 |
HMOMIHWDLYXVDJ-UNDCVHGOSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM775482
|
Local ready
Direct docking supported
|
|
E3L041869
BDB041869
|
BDBM775483
C=C(Cn1ccnc1)C(=O)NCc1cccc([C@@H]2c3cnn(-c4ccccc4)c3N(CC)C(=O)[C@H]2NC(=O)c2cccc(C(F)(F)F)c2)c1
|
C36H32F3N7O3 667.692000 |
RDCNCFBJKDEEHU-JSOSNVBQSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM775483
|
Local ready
Direct docking supported
|
|
E3L041870
BDB041870
|
BDBM775484
C=C(CN(C)C1COC1)C(=O)NCc1cccc([C@@H]2c3c(C)nn(-c4ccccc4)c3N(CC)C(=O)[C@H]2NC(=O)c2cccc(C(F)(F)F)c2)c1
|
C38H39F3N6O4 700.762000 |
MNXNERCAHKRFSH-SAIUNTKASA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM775484
|
Local ready
Direct docking supported
|
|
E3L041871
BDB041871
|
BDBM775485
C=C(C(=O)N(C)Cc1cccc([C@@H]2c3cnn(-c4ccccc4)c3N(CC)C(=O)[C@H]2NC(=O)c2ccn(C(F)(F)F)n2)c1)C(C)N(C)C1COC1
|
C36H39F3N8O4 704.754000 |
DGTDDOVQJVDUNZ-PEHFHTAYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM775485
|
Local ready
Direct docking supported
|
|
E3L041872
BDB041872
|
BDBM775486
C/C=C(\CN1CCC1)C(=O)NCc1cccc([C@@H]2c3cnn(-c4ccccc4)c3N(CC)C(=O)[C@H]2NC(=O)c2nccc(C(F)(F)F)n2)c1
|
C35H35F3N8O3 672.712000 |
OQELHVMPMPQGRT-IEROZCKVSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM775486
|
Local ready
Direct docking supported
|
|
E3L041873
BDB041873
|
BDBM775487
C=C(CN1CC2CC(C1)O2)C(=O)NCc1cccc([C@@H]2c3cnn(-c4ccccc4)c3N(CC)C(=O)[C@H]2NC(=O)c2ccn(C(F)(F)F)n2)c1
|
C35H35F3N8O4 688.711000 |
LOVSATHTJRGOKE-KFCVGBSGSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM775487
|
Local ready
Direct docking supported
|
|
E3L041874
BDB041874
|
BDBM775488
C=C(CN(C)C1COC1)C(=O)NCc1cccc([C@@H]2c3cnn(-c4ccccc4)c3N(CC)C(=O)[C@H]2NC(=O)c2ccn(C(F)(F)F)n2)c1
|
C34H35F3N8O4 676.700000 |
URIPWEQAXYAQBY-WDYNHAJCSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM775488
|
Local ready
Direct docking supported
|
|
E3L041875
BDB041875
|
BDBM775489
C=C(C(=O)NCc1cccc([C@@H]2c3cnn(-c4ccccc4)c3N(CC)C(=O)[C@H]2NC(=O)c2cccc(C(F)(F)F)c2)c1)C(C)N1CCN(C2COC2)CC1
|
C41H44F3N7O4 755.842000 |
HAQVPEKAPFMRFC-TUTBLPQPSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM775489
|
Local ready
Direct docking supported
|
|
E3L041876
BDB041876
|
BDBM775490
C=C(CN(C)C1COC1)C(=O)N(C)Cc1cccc([C@@H]2c3cnn(-c4ccccc4)c3N(CC)C(=O)[C@H]2NC(=O)c2csc(C(F)(F)F)n2)c1
|
C35H36F3N7O4S 707.779000 |
MRPCPAFNDBGJLE-WDYNHAJCSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM775490
|
Local ready
Direct docking supported
|
|
E3L041877
BDB041877
|
BDBM775491
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@H](c2cncc(NC(=O)C3=CCC3)c2)c2cnn(-c3ccccc3)c21
|
C32H27F3N6O3 600.601000 |
VXVQFJBQMPWLER-SXOMAYOGSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM775491; PubChem:CID176758204
|
Local ready
Direct docking supported
|
|
E3L041878
BDB041878
|
BDBM775492
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@H](c2cncc(NC(=O)/C=C/CN(C)C)c2)c2cnn(-c3ccccc3)c21
|
C33H32F3N7O3 631.659000 |
RGAPQTKHGDJSIS-WISFONMESA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM775492
|
Local ready
Direct docking supported
|
|
E3L041879
BDB041879
|
BDBM775493
C/C=C(\CN1CC2(COC2)C1)C(=O)N(C)Cc1cccc([C@@H]2c3cnn(-c4ccccc4)c3N(CC)C(=O)[C@H]2NC(=O)c2ccn(C(F)(F)F)n2)c1
|
C37H39F3N8O4 716.765000 |
CLTCWIBAOAXZQV-PUIXBDEISA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM775493
|
Local ready
Direct docking supported
|
|
E3L041880
BDB041880
|
BDBM775494
C/C=C(\CN(C)C1COC1)C(=O)NCc1cccc([C@@H]2c3cnn(-c4ccccc4)c3N(CC)C(=O)[C@H]2NC(=O)c2nccc(C(F)(F)F)n2)c1
|
C36H37F3N8O4 702.738000 |
ILJXMMJWLYTBDW-QYTMENBESA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM775494
|
Local ready
Direct docking supported
|