| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L060861
BDB060861
|
BDBM50569337
Brc1cccc(-c2nnc(SSc3nnc(-c4cccc(Br)c4)[nH]3)[nH]2)c1
|
C16H10Br2N6S2 510.240000 |
MCFBGGUNGFMTMJ-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50569337; PubChem:CID164618067
|
Local ready
Direct docking supported
|
|
E3L060862
BDB060862
|
BDBM50569338
COc1cccc(-c2nnc(SSc3nnc(-c4cccc(OC)c4)[nH]3)[nH]2)c1
|
C18H16N6O2S2 412.500000 |
HGQNMSOZDGNPKX-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50569338; PubChem:CID164620923
|
Local ready
Direct docking supported
|
|
E3L060863
BDB060863
|
BDBM50569339
O=S(=O)(c1cccc(-c2nnc(SSc3nnc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)[nH]3)[nH]2)c1)N1CCOCC1
|
C24H26N8O6S4 650.790000 |
IPKVJQYEHLQITH-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50569339; PubChem:CID164610736
|
Local ready
Direct docking supported
|
|
E3L060864
BDB060864
|
BDBM50569340
c1cc2c(cc1-c1nnc(SSc3nnc(-c4ccc5c(c4)OCO5)[nH]3)[nH]1)OCO2
|
C18H12N6O4S2 440.466000 |
JWIMVPADWPYPEK-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50569340; PubChem:CID12890257
|
Local ready
Direct docking supported
|
|
E3L060865
BDB060865
|
BDBM50569341
Cc1ccc(-c2nnc(SSc3nnc(-c4ccc(C)cc4)[nH]3)[nH]2)cc1
|
C18H16N6S2 380.502000 |
WSMJJTHARJZYBU-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50569341; PubChem:CID13391951
|
Local ready
Direct docking supported
|
|
E3L060866
BDB060866
|
BDBM50569342
Clc1ccc(-c2nnc(SSc3nnc(-c4ccc(Cl)cc4)[nH]3)[nH]2)cc1
|
C16H10Cl2N6S2 421.338000 |
XECPKDVLOKQQQZ-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50569342; PubChem:CID13074629
|
Local ready
Direct docking supported
|
|
E3L060867
BDB060867
|
BDBM50569647
CCc1cc2cnc(CN3CCN(c4ccc(C(N)=O)nc4)CC3)cc2[nH]c1=O
|
C21H24N6O2 392.463000 |
JJHGXNLCBUHNCN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50569647; PubChem:CID164622306
|
Local ready
Direct docking supported
|
|
E3L060868
BDB060868
|
BDBM50569648
CNC(=O)c1ccc(N2CCN(Cc3cc4[nH]c(=O)c(CC(F)F)cc4cn3)CC2)c(F)n1
|
C22H23F3N6O2 460.460000 |
LYUAUKKDLUGQTE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50569648; PubChem:CID164614247
|
Local ready
Direct docking supported
|
|
E3L060869
BDB060869
|
BDBM50569649
CNC(=O)c1ccc(N2CCN(Cc3cc4[nH]c(=O)c(CCF)cc4cn3)CC2)cn1
|
C22H25FN6O2 424.480000 |
JFRRVBJZIWDDRJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50569649; PubChem:CID164615614
|
Local ready
Direct docking supported
|
|
E3L060870
BDB060870
|
BDBM50569979
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(C)cc(=O)n([C@H]3CC[C@@H](NC(=O)C4CCCCC4)CC3)c2n1
|
C33H45N7O3 587.769000 |
CLYMONPGUOMIQL-PLQXJYEYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM50569979
|
Local ready
Direct docking supported
|
|
E3L060871
BDB060871
|
Ac-Asp-Gly-Tyr(PO3H2)-Thr-Pro-Glu-Pro-Ala-NH2
CC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=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(=O)N[C@@H](C)C(N)=O)[C@@H](C)O
|
C39H56N9O18P 969.896000 |
CGTSGBMUOHKCQF-SQBWXGGLSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50570682; PubChem:CID164609346
|
Local ready
Direct docking supported
|
|
E3L060872
BDB060872
|
Ac-Gly-Tyr(PO3H2)-Thr-Pro-Glu-Pro-NH2
CC(=O)NCC(=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
|
C32H46N7O14P 783.729000 |
KGAMZBZTAXISDG-XZLRCCORSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50570683; PubChem:CID164615719
|
Local ready
Direct docking supported
|
|
E3L060873
BDB060873
|
Ac-Tyr(PO3H2)-Thr-Pro-Glu-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(=O)O)C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O
|
C30H43N6O13P 726.677000 |
TYQPYKTVALPLKV-INJMXHEASA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50570684; PubChem:CID71710891
|
Local ready
Direct docking supported
|
|
E3L060874
BDB060874
|
H-Gly-Tyr(PO3H2)-Thr-Pro-Glu-OH
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O
|
C25H36N5O13P 645.559000 |
SHLIIFXPUQKTSD-BEACGEKWSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50570685; PubChem:CID164612476
|
Local ready
Direct docking supported
|
|
E3L060875
BDB060875
|
Ac-Tyr(PO3H2)-Thr-Pro-Glu-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(N)=O)[C@@H](C)O
|
C25H36N5O12P 629.560000 |
QANOFYFCGTYFSE-DWKCJSFCSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50570686; PubChem:CID164624082
|
Local ready
Direct docking supported
|
|
E3L060876
BDB060876
|
Ac-Glu-Thr-Pro-Glu-Pro-NH2
CC(=O)N[C@@H](CCC(=O)O)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
|
C26H40N6O11 612.637000 |
WTZUCEAJLXOWOJ-PWCCBTNGSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50570687; PubChem:CID164612124
|
Local ready
Direct docking supported
|
|
E3L060877
BDB060877
|
Ac-Tyr(PO3H2)-Ala-Pro-Glu-Pro-NH2
CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(N)=O
|
C29H41N6O12P 696.651000 |
XGTCZSDCIRPYTF-DEKCZCQOSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50570688; PubChem:CID164615373
|
Local ready
Direct docking supported
|
|
E3L060878
BDB060878
|
Ac-Tyr(PO3H2)-Thr-Ala-Glu-Pro-NH2
CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O
|
C28H41N6O13P 700.639000 |
SBGFSMMTXHUZPP-MCGLDJKNSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50570689; PubChem:CID164621799
|
Local ready
Direct docking supported
|
|
E3L060879
BDB060879
|
Ac-Tyr(PO3H2)-Thr-Pro-Ala-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](C)C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O
|
C28H41N6O11P 668.641000 |
ATKCWDBPFGAUSS-YVGHTPAKSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50570690; PubChem:CID164627183
|
Local ready
Direct docking supported
|
|
E3L060880
BDB060880
|
Ac-Leu-Gln-Arg-Tyr(PO3H2)-Ser-Ser-Asp-Pro-Thr-Gly-NH2
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(N)=O)[C@@H](C)O
|
C49H78N15O21P 1244.221000 |
QUIAPHMMZAIPAS-JKILKGSJSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50570691; PubChem:CID164618547
|
Local ready
Direct docking supported
|