| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L006101
BDB006101
|
BDBM139682
Nc1ccc(S(=O)(=O)N2CCCN(CC3=Nc4cccc5c(=O)[nH]nc(c45)N3)CC2)cc1
|
C21H23N7O3S 453.528000 |
LSVWDGZJCTZWBJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139682; PubChem:CID135921428
|
Local ready
Direct docking supported
|
|
E3L006102
BDB006102
|
BDBM139683
O=c1[nH]nc2c3c(cccc13)N=C(CN1CCCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC1)N2
|
C27H26N6O3S 514.611000 |
PLXLVZBDQOWZGB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139683; PubChem:CID135921440
|
Local ready
Direct docking supported
|
|
E3L006103
BDB006103
|
BDBM139684
Nc1ccc(S(=O)(=O)N2CCN(CC3=Nc4cccc5c(=O)[nH]nc(c45)N3)CC2)cc1
|
C20H21N7O3S 439.501000 |
NZFIMCRBWYOGGS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139684; PubChem:CID135921441
|
Local ready
Direct docking supported
|
|
E3L006104
BDB006104
|
BDBM139685
CC(C)(C)OC(=O)NCC1=Nc2cccc3c(=O)[nH]nc(c23)N1
|
C15H17N5O3 315.333000 |
LUXCCQGRBOTZCH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139685; PubChem:CID135921442
|
Local ready
Direct docking supported
|
|
E3L006105
BDB006105
|
BDBM139686
Cc1ccc(S(=O)(=O)NCC2=Nc3cccc4c(=O)[nH]nc(c34)N2)cc1
|
C17H15N5O3S 369.406000 |
CHTWJKKJXMYHGC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139686; PubChem:CID135921443
|
Local ready
Direct docking supported
|
|
E3L006106
BDB006106
|
BDBM139687
O=c1[nH]nc2c3c(cccc13)N=C(CNS(=O)(=O)c1ccccc1)N2
|
C16H13N5O3S 355.379000 |
ORFYJYLOCQRHGD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139687; PubChem:CID135921444
|
Local ready
Direct docking supported
|
|
E3L006107
BDB006107
|
BDBM139689
O=C(NCC1=Nc2cccc3c(=O)[nH]nc(c23)N1)c1ccc([N+](=O)[O-])cc1
|
C17H12N6O4 364.321000 |
OSWGQLWFDRBYKR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139689; PubChem:CID135921445
|
Local ready
Direct docking supported
|
|
E3L006108
BDB006108
|
BDBM142744
CCNC(=O)C#Cc1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(CN(C)C)cc1)c1ccccc1
|
C29H28N4O2 464.569000 |
FLBNLJLONKAPLR-DQSJHHFOSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM142744
|
Local ready
Direct docking supported
|
|
E3L006109
BDB006109
|
BDBM143333
Cc1cc(Cl)ccc1C1c2c(nn(Cc3ccccn3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F
|
C27H23Cl2FN4O 509.412000 |
OPXLDTUTDCQLID-UHFFFAOYSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM143333; PubChem:CID71585475
|
Local ready
Direct docking supported
|
|
E3L006110
BDB006110
|
BDBM143334
Cc1cc(Cl)ccc1C1c2c(nn(Cc3cccnc3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F
|
C27H23Cl2FN4O 509.412000 |
TYWSIURVMYDJIY-UHFFFAOYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM143334; PubChem:CID71585476
|
Local ready
Direct docking supported
|
|
E3L006111
BDB006111
|
BDBM143335
Cc1cc(Cl)ccc1C1c2c(nn(CCc3c[nH]cn3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F
|
C26H24Cl2FN5O 512.416000 |
DGWXQHKAOFMVFK-UHFFFAOYSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM143335; PubChem:CID71585577
|
Local ready
Direct docking supported
|
|
E3L006112
BDB006112
|
BDBM143336
Cc1cc(Cl)ccc1C1c2c(nn(CCC(C)C)c2C(C)C)C(=O)N1c1cccc(Cl)c1F
|
C26H28Cl2FN3O 488.434000 |
XJYPRHQKEZFLER-UHFFFAOYSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM143336; PubChem:CID71585578
|
Local ready
Direct docking supported
|
|
E3L006113
BDB006113
|
BDBM143337
Cc1cc(Cl)ccc1C1c2c(nn(Cc3cc(=O)[nH]c4ccccc34)c2C(C)C)C(=O)N1c1cccc(Cl)c1F
|
C31H25Cl2FN4O2 575.471000 |
ZFDXOFADVLDFOH-UHFFFAOYSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM143337; PubChem:CID71585579
|
Local ready
Direct docking supported
|
|
E3L006114
BDB006114
|
BDBM143338
Cc1cc(Cl)ccc1C1c2c(nn(Cc3cc(=O)[nH]c4c(C#N)cnn34)c2C(C)C)C(=O)N1c1cccc(Cl)c1F
|
C29H22Cl2FN7O2 590.446000 |
VDJFQUDOTQDXAB-UHFFFAOYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB
BindingDB:BDBM143338
|
Local ready
Direct docking supported
|
|
E3L006115
BDB006115
|
BDBM143339
[C][C]([C])c1c2c(nn1[C][C]=C([C])[C])C(=O)N(c1cccc(Cl)c1F)[C]2c1ccc(Cl)cc1[C]
|
C26H6Cl2FN3O 466.258000 |
SSWCUWGPDZDRDD-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM143339
|
Local ready
Direct docking supported
|
|
E3L006116
BDB006116
|
BDBM143340
Cc1cc(Cl)ccc1C1c2c(nn(CCc3ccccn3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F
|
C28H25Cl2FN4O 523.439000 |
HWSUWQWVEIWWQQ-UHFFFAOYSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM143340; PubChem:CID71585581
|
Local ready
Direct docking supported
|
|
E3L006117
BDB006117
|
BDBM143341
Cc1cc(Cl)ccc1C1c2c(nn(CCc3c[nH]c4ccccc34)c2C(C)C)C(=O)N1c1cccc(Cl)c1F
|
C31H27Cl2FN4O 561.488000 |
GAIFQWCUGUSUIE-UHFFFAOYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM143341; PubChem:CID71585683
|
Local ready
Direct docking supported
|
|
E3L006118
BDB006118
|
BDBM143342
Cc1cc(Cl)ccc1C1c2c(nn(CCN3C(=O)c4ccccc4C3=O)c2C(C)C)C(=O)N1c1cccc(Cl)c1F
|
C31H25Cl2FN4O3 591.470000 |
IQXKRKFNNIJHKM-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM143342; PubChem:CID71585684
|
Local ready
Direct docking supported
|
|
E3L006119
BDB006119
|
BDBM143343
CC(C)CCn1nc2c(c1C(C)C)C(c1ccc(F)cc1)N(c1cccc(Cl)c1F)C2=O
|
C25H26ClF2N3O 457.952000 |
XTRBDZDWKLQSPN-UHFFFAOYSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM143343; PubChem:CID71585685
|
Local ready
Direct docking supported
|
|
E3L006120
BDB006120
|
BDBM143344
CC(C)CCn1nc2c(c1C(C)C)C(c1ccc(F)c(F)c1)N(c1cccc(Cl)c1F)C2=O
|
C25H25ClF3N3O 475.942000 |
QVUQZJZBURHSLW-UHFFFAOYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM143344; PubChem:CID71585686
|
Local ready
Direct docking supported
|