| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L060881
BDB060881
|
Ac-Arg-Tyr(PO3H2)-Thr-Pro-Glu-Pro-NH2
CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O
|
C36H55N10O14P 882.866000 |
IBEMHLFJQQTJII-FLRWUIOGSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50570692; PubChem:CID164624679
|
Local ready
Direct docking supported
|
|
E3L060882
BDB060882
|
Ac-Tyr(PO3H2)-Thr-Leu-Glu-Pro-NH2
CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O
|
C31H47N6O13P 742.720000 |
IHALTRUUKGOSOZ-DOCZMJICSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50570693; PubChem:CID164626518
|
Local ready
Direct docking supported
|
|
E3L060883
BDB060883
|
Ac-Tyr(PO3H2)-Thr-Ile-Glu-Pro-NH2
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(N)=O
|
C31H47N6O13P 742.720000 |
FCPLCFWOFKDILP-KZEFWJKESA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50570694; PubChem:CID164624701
|
Local ready
Direct docking supported
|
|
E3L060884
BDB060884
|
Ac-Tyr(PO3H2)-Thr-Pro-Gln-Pro-NH2
CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O
|
C30H44N7O12P 725.693000 |
DFKQURQDTYOOOY-INJMXHEASA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50570695; PubChem:CID164610039
|
Local ready
Direct docking supported
|
|
E3L060885
BDB060885
|
Ac-Tyr(PO3H2)-Thr-Pro-Asp-Pro-NH2
CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O
|
C29H41N6O13P 712.650000 |
HLFXFFLLLWVJGK-KREBNATDSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50570696; PubChem:CID164620132
|
Local ready
Direct docking supported
|
|
E3L060886
BDB060886
|
Ac-Tyr(PO3H2)-Thr-Pro-Glu-Phe-NH2
CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)O
|
C34H45N6O13P 776.737000 |
PTUZFVHFRTYKJO-ZQAYLKFXSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50570697; PubChem:CID164612781
|
Local ready
Direct docking supported
|
|
E3L060887
BDB060887
|
BDBM50570698
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(C(=O)CCl)CC4)cn3)nc2n(C2CCCC2)c1=O
|
C26H30ClN7O3 524.025000 |
DHXAFRBSJGTAFK-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50570698; PubChem:CID162424469
|
Local ready
Direct docking supported
|
|
E3L060888
BDB060888
|
BDBM50570884
C/C(=N\Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)C(=O)NCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C35H33N7O5S 663.760000 |
NGIBNEVPRVRVCR-VQWGYEAZSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM50570884; PubChem:CID164614329
|
Local ready
Direct docking supported
|
|
E3L060889
BDB060889
|
BDBM50570885
O=C1CCC(N2C(=O)c3cccc(NCCCCNC(=O)/C(=N\Nc4nc(-c5ccc(-c6ccccc6)cc5)cs4)c4ccccc4[N+](=O)[O-])c3C2=O)C(=O)N1
|
C40H34N8O7S 770.828000 |
CWKAWUHTUGAXQR-VKWCIQKDSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM50570885; PubChem:CID164614635
|
Local ready
Direct docking supported
|
|
E3L060890
BDB060890
|
BDBM50570886
C/C(=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)c(CC(=O)NCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)s1)C(=O)OCOC(=O)C(C)(C)C
|
C35H35Cl2N7O9S 800.678000 |
OUHYRQKOYDLKET-OLUOZRNISA-N | Q96SW2 | Protein cereblon |
BindingDB
BindingDB:BDBM50570886
|
Local ready
Direct docking supported
|
|
E3L060891
BDB060891
|
6-Methyl-1,3-benzoxazole-2-thiol
Cc1ccc2[nH]c(=S)oc2c1
|
C8H7NOS 165.217000 |
NUMDWMDMUXZMHA-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50570900; PubChem:CID963501
|
Local ready
Direct docking supported
|
|
E3L060892
BDB060892
|
BDBM50571039
Cc1nn(C(C)C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3nc(C(C)(C)C)no3)ccnc2[nH]1
|
C32H38N8O2 566.710000 |
XHKFYFCKCXKVPO-XMMPIXPASA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50571039
|
Local ready
Direct docking supported
|
|
E3L060893
BDB060893
|
BDBM50571283
NC(=O)c1cncc2[nH]c(C3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)nc12
|
C28H24FN7O3 525.544000 |
USWHPEMIZYRJNL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50571283; PubChem:CID164619328
|
Local ready
Direct docking supported
|
|
E3L060894
BDB060894
|
BDBM50571284
COc1ncc(C(N)=O)c2nc(C3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)[nH]c12
|
C29H26FN7O4 555.570000 |
UTKCNNIKFDNJBP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50571284; PubChem:CID164609677
|
Local ready
Direct docking supported
|
|
E3L060895
BDB060895
|
BDBM50571285
CCOc1ncc(C(N)=O)c2nc(C3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)[nH]c12
|
C30H28FN7O4 569.597000 |
ZCJDTFHKESVXSL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50571285; PubChem:CID164616347
|
Local ready
Direct docking supported
|
|
E3L060896
BDB060896
|
BDBM50571286
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCC(c2nc3ccccc3[nH]2)CC1
|
C28H24FN5O2 481.531000 |
VRCIPGDVYHLKJU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50571286; PubChem:CID164620249
|
Local ready
Direct docking supported
|
|
E3L060897
BDB060897
|
BDBM50571287
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(c2nc3ccccc3[nH]2)CC1
|
C27H23FN6O2 482.519000 |
UZRDJSUCQHYBFN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50571287; PubChem:CID164609478
|
Local ready
Direct docking supported
|
|
E3L060898
BDB060898
|
BDBM50571288
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nc3ccccc32)C1
|
C26H20FN5O2 453.477000 |
KPRCIXXVHPTQRA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50571288; PubChem:CID141740038
|
Local ready
Direct docking supported
|
|
E3L060899
BDB060899
|
BDBM50571289
Cc1ccc2nc3n(c2c1)CCN(C(=O)c1cc(Cc2n[nH]c(=O)c4ccccc24)ccc1F)C3
|
C27H22FN5O2 467.504000 |
AIPDWZSAAUJOIQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50571289; PubChem:CID164622937
|
Local ready
Direct docking supported
|
|
E3L060900
BDB060900
|
BDBM50571290
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nc3ccc(Cl)cc32)C1
|
C26H19ClFN5O2 487.922000 |
ABSXLCJJXPXNDB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50571290; PubChem:CID164623411
|
Local ready
Direct docking supported
|