| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008001
BDB008001
|
BDBM191603
COC(=O)c1ccnc(-c2cc(C(=O)NCCc3ccccc3)ccn2)c1
|
C21H19N3O3 361.401000 |
LTHOPIBLRVRXLD-UHFFFAOYSA-N | P29375, P41229, Q9BY66 | Lysine-specific demethylase 5C, Lysine-specific demethylase 5D, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM191603; PubChem:CID121595845
|
Local ready
Direct docking supported
|
|
E3L008002
BDB008002
|
BDBM191604
Cn1cnc(-c2nccc3c(O)nc(OCCCC(F)(F)F)nc23)c1
|
C15H14F3N5O2 353.304000 |
GVIVKUKLHYWHES-UHFFFAOYSA-N | P29375, P41229, Q9BY66 | Lysine-specific demethylase 5A, Lysine-specific demethylase 5C, Lysine-specific demethylase 5D |
BindingDB, PubChem
BindingDB:BDBM191604; PubChem:CID136959977
|
Local ready
Direct docking supported
|
|
E3L008003
BDB008003
|
Phthalazine ketone derivative 2
CCC(CC)C(=O)N1CCN(C(=O)c2cc(Oc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C25H27FN4O4 466.513000 |
IJSAVXZCXLCXRP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191984; PubChem:CID71571973
|
Local ready
Direct docking supported
|
|
E3L008004
BDB008004
|
Phthalazine ketone derivative 3
O=C(c1cc(Oc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)N2CCCCC2)CC1
|
C25H26FN5O4 479.512000 |
BCFBHNMOIFYWBS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191985; PubChem:CID71598692
|
Local ready
Direct docking supported
|
|
E3L008005
BDB008005
|
BDBM191986
O=C(c1cc(Oc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1
|
C26H20FN5O6 517.473000 |
XDVCDFIVFSEAIF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191986; PubChem:CID71598778
|
Local ready
Direct docking supported
|
|
E3L008006
BDB008006
|
BDBM191987
O=C(c1cc(Oc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CCCCC2)CC1
|
C26H27FN4O4 478.524000 |
KQZWMWZSAJJNFW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191987; PubChem:CID89607671
|
Local ready
Direct docking supported
|
|
E3L008007
BDB008007
|
BDBM191988
CCC(=O)N1CCN(C(=O)c2cc(Oc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C22H21FN4O4 424.432000 |
OSSWUUYFKZVUNS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191988; PubChem:CID89608310
|
Local ready
Direct docking supported
|
|
E3L008008
BDB008008
|
BDBM191989
O=C(c1cc(Oc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CCC(F)(F)CC2)CC1
|
C26H25F3N4O4 514.504000 |
QJQDIQKTDSBMOB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191989; PubChem:CID117676259
|
Local ready
Direct docking supported
|
|
E3L008009
BDB008009
|
Phthalazine ketone derivative 1
CN(C)C1(C(=O)N2CCN(C(=O)c3cc(Oc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)CC1
|
C25H26FN5O4 479.512000 |
DZWVGXKLZPKLKS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191990; PubChem:CID89608436
|
Local ready
Direct docking supported
|
|
E3L008010
BDB008010
|
BDBM191991
CN(C)C1(C(=O)N2CCN(C(=O)c3cc(Oc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)CCC1
|
C26H28FN5O4 493.539000 |
PGOSXGKZYJLWAN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191991; PubChem:CID89608435
|
Local ready
Direct docking supported
|
|
E3L008011
BDB008011
|
BDBM192148
CC(=O)N(CC(C)C)C(C(=O)NCc1ccccc1)c1cn(C(=O)OC(C)(C)C)c2ccccc12
|
C28H35N3O4 477.605000 |
ZVKSBMVCSLHXLH-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM192148; PubChem:CID66692829
|
Local ready
Direct docking supported
|
|
E3L008012
BDB008012
|
BDBM192151
CCOC(=O)c1c(C(C(=O)NCc2ccccc2)N(CC(C)C)C(C)=O)c2ccc(Cl)cc2n1C(=O)OC(C)(C)C
|
C31H38ClN3O6 584.113000 |
VQCRNHQPUUAGIY-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM192151; PubChem:CID66693585
|
Local ready
Direct docking supported
|
|
E3L008013
BDB008013
|
BDBM192152
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(C(=O)NCc1ccccc1)N(CC(C)C)C(C)=O
|
C26H30ClN3O4 483.996000 |
GEQPRFHKTYDTFB-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM192152; PubChem:CID56942529
|
Local ready
Direct docking supported
|
|
E3L008014
BDB008014
|
BDBM192153
CCOC(=O)c1c(C(C(=O)NCc2ccccc2)N(Cc2ccccc2)C(C)=O)c2ccc(Cl)cc2n1C(=O)OC(C)(C)C
|
C34H36ClN3O6 618.130000 |
IIQUCYBLJQURFF-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM192153; PubChem:CID66693983
|
Local ready
Direct docking supported
|
|
E3L008015
BDB008015
|
BDBM192154
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(C(=O)NCc1ccccc1)N(Cc1ccccc1)C(C)=O
|
C29H28ClN3O4 518.013000 |
NLVIZLGASWNCTQ-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM192154; PubChem:CID56942694
|
Local ready
Direct docking supported
|
|
E3L008016
BDB008016
|
BDBM192155
CCOC(=O)c1c(C(C(=O)NC2CCCCC2)N(Cc2ccccc2)C(C)=O)c2ccc(Cl)cc2n1C(=O)OC(C)(C)C
|
C33H40ClN3O6 610.151000 |
MDFGJFBZQIIXAT-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM192155; PubChem:CID66693687
|
Local ready
Direct docking supported
|
|
E3L008017
BDB008017
|
BDBM192156
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(C(=O)NC1CCCCC1)N(Cc1ccccc1)C(C)=O
|
C28H32ClN3O4 510.034000 |
XDHQTGGIDRQYCR-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM192156; PubChem:CID56942850
|
Local ready
Direct docking supported
|
|
E3L008018
BDB008018
|
BDBM192157
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(C)=O
|
C28H31Cl2N3O4 544.479000 |
ZIJNUJYDWJOGLS-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM192157; PubChem:CID56942531
|
Local ready
Direct docking supported
|
|
E3L008019
BDB008019
|
BDBM192158
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(C)=O
|
C28H30Cl3N3O4 578.924000 |
BOEWYKXQSZBPEX-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM192158; PubChem:CID56942851
|
Local ready
Direct docking supported
|
|
E3L008020
BDB008020
|
BDBM192159
CCCC(=O)N(Cc1ccccc1)C(C(=O)NC1CCCCC1)c1c(C(=O)OCC)n(C(=O)OC(C)(C)C)c2cc(Cl)ccc12
|
C35H44ClN3O6 638.205000 |
WAAULTIISNKQIU-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM192159; PubChem:CID66693479
|
Local ready
Direct docking supported
|