| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L011681
BDB011681
|
BDBM240710
NCCOc1c(-c2ccc(N3CCCC3)cc2)[nH]c(=O)c2cc(F)ccc12
|
C21H22FN3O2 367.424000 |
QVLGTURZQKWUBL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM240710; PubChem:CID71576459
|
Local ready
Direct docking supported
|
|
E3L011682
BDB011682
|
BDBM240711
NCCOc1c(-c2ccc(Cl)cc2)[nH]c(=O)c2cc(F)ccc12
|
C17H14ClFN2O2 332.762000 |
GSHBUCNCWYHWKA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM240711; PubChem:CID71576460
|
Local ready
Direct docking supported
|
|
E3L011683
BDB011683
|
BDBM240712
NCCOc1c(-c2ccc(F)cc2)[nH]c(=O)c2cc(F)ccc12
|
C17H14F2N2O2 316.307000 |
NALBIBKGPRRCCO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM240712; PubChem:CID71576506
|
Local ready
Direct docking supported
|
|
E3L011684
BDB011684
|
BDBM240713
N#Cc1cccc(-c2[nH]c(=O)c3cc(F)ccc3c2OCCN)c1
|
C18H14FN3O2 323.327000 |
VYUKSMNSIRGBBM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM240713; PubChem:CID71576507
|
Local ready
Direct docking supported
|
|
E3L011685
BDB011685
|
BDBM240714
NCCOc1c(-c2ccc(Br)cc2)[nH]c(=O)c2c(F)c(F)ccc12
|
C17H13BrF2N2O2 395.203000 |
OOMGICXJISMCLR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM240714; PubChem:CID71576508
|
Local ready
Direct docking supported
|
|
E3L011686
BDB011686
|
BDBM240715
Cc1cc(-c2[nH]c(=O)c3cc(F)ccc3c2OCCN)ccc1Cl
|
C18H16ClFN2O2 346.789000 |
KYPCNLJQBLPDKY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM240715; PubChem:CID71576509
|
Local ready
Direct docking supported
|
|
E3L011687
BDB011687
|
BDBM240716
NCCOc1c(-c2ccc(Cl)c(Cl)c2)[nH]c(=O)c2cc(F)ccc12
|
C17H13Cl2FN2O2 367.207000 |
BFJMBXAFUUTYIR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM240716; PubChem:CID71576510
|
Local ready
Direct docking supported
|
|
E3L011688
BDB011688
|
BDBM240717
NCCOc1c(-c2ccc(F)c(F)c2)[nH]c(=O)c2cc(F)ccc12
|
C17H13F3N2O2 334.297000 |
FCXORJBFYRYCGS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM240717; PubChem:CID71576511
|
Local ready
Direct docking supported
|
|
E3L011689
BDB011689
|
BDBM240718
NCCOc1c(-c2ccc(N3CCCC3)c(Br)c2)[nH]c(=O)c2cc(F)ccc12
|
C21H21BrFN3O2 446.320000 |
AUSDJKWCUGOMRT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM240718; PubChem:CID71576560
|
Local ready
Direct docking supported
|
|
E3L011690
BDB011690
|
BDBM240719
NCCOc1c(-c2ccc3c(c2)OCCO3)[nH]c(=O)c2cc(F)ccc12
|
C19H17FN2O4 356.353000 |
OKZVWHVKFPRNLX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM240719; PubChem:CID71576561
|
Local ready
Direct docking supported
|
|
E3L011691
BDB011691
|
BDBM240720
NCCOc1c(-c2ccc3c(c2)OCO3)[nH]c(=O)c2cc(F)ccc12
|
C18H15FN2O4 342.326000 |
XVJKJDSTWKHYJD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM240720; PubChem:CID71576562
|
Local ready
Direct docking supported
|
|
E3L011692
BDB011692
|
BDBM240721
COc1ccc(-c2[nH]c(=O)c3cc(F)ccc3c2OCCN)cc1F
|
C18H16F2N2O3 346.333000 |
FPMIUVGZAHMUQO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM240721; PubChem:CID71576563
|
Local ready
Direct docking supported
|
|
E3L011693
BDB011693
|
BDBM240722
NCCOc1c(-c2ccc(Oc3ccccc3)cc2)[nH]c(=O)c2cc(F)ccc12
|
C23H19FN2O3 390.414000 |
XPSKRWQPQHOROG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM240722; PubChem:CID49834596
|
Local ready
Direct docking supported
|
|
E3L011694
BDB011694
|
BDBM240879
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(=O)N3C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc4c(OC)ccc5cc(Br)ccc45)c4ccccc43)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C58H56Br2N8O8 1152.942000 |
PBGWEJJBQUBSJN-MLLHAFNLSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240879
|
Local ready
Direct docking supported
|
|
E3L011695
BDB011695
|
BDBM240880
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(=O)N[C@H]3C[C@@H](C(=O)N[C@@H]4CCCc5ccccc54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)C3)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C60H70BrN9O8 1125.179000 |
OVCDDAXIBKWFRB-SFDZCEMOSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240880
|
Local ready
Direct docking supported
|
|
E3L011696
BDB011696
|
BDBM240881
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](NC(=O)c2ccc(C(=O)N3C[C@H](NC(=O)[C@@H](C)NC)C(=O)N(Cc4c(OC)ccc5cc(Br)ccc45)c4ccccc43)cc2)C[C@@H]1C(=O)NCc1ccccc1)C1CCCCC1
|
C57H66BrN9O8 1085.114000 |
YDWVAMSAICGKJN-BOPKTTDVSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240881
|
Local ready
Direct docking supported
|
|
E3L011697
BDB011697
|
BDBM240882
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(=O)N[C@H]3C[C@@H](C(=O)N[C@H]4CCCc5ccccc54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)C3)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C60H70BrN9O8 1125.179000 |
OVCDDAXIBKWFRB-QNQROPCWSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240882
|
Local ready
Direct docking supported
|
|
E3L011698
BDB011698
|
BDBM240883
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(=O)N3C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc4c(C)ccc5ccccc45)c4ccccc43)cc2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
|
C58H58N8O6 963.152000 |
AAUBAAFAPIUNRC-IFXHEYSUSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240883
|
Local ready
Direct docking supported
|
|
E3L011699
BDB011699
|
BDBM240884
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(=O)N3C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc4c(OC)ccc5c(Br)cccc45)c4ccccc43)cc2)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O
|
C58H56Br2N8O8 1152.942000 |
YUIVBVLBUVLINM-MLLHAFNLSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240884
|
Local ready
Direct docking supported
|
|
E3L011700
BDB011700
|
BDBM240885
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc3cc(C(=O)N4C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc5c(OC)ccc6cc(Br)ccc56)c5ccccc54)ccc3c2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C62H58Br2N8O8 1203.002000 |
JPGPASNCUPFQRJ-HLGNEWOLSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240885
|
Local ready
Direct docking supported
|