| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L006041
BDB006041
|
BDBM139096
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)NCCCCCCNC(=O)N2CC[C@H]3CC[C@@H](C(=O)N[C@H]4CCC[C@@H]4c4ccccc4)N3C(=O)[C@@H](NC(=O)[C@H](C)NC)C2)CC[C@H]2CCC(C(=O)N[C@H]3CCC[C@@H]3c3ccccc3)N2C1=O
|
C58H86N12O8 1079.402000 |
KXJVNGXNMLYVMB-INTIDMSGSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM139096
|
Local ready
Direct docking supported
|
|
E3L006042
BDB006042
|
BDBM139097
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)NCCCCCCNC(=O)N2CC[C@H]3CC[C@@H](C(=O)N[C@@H]4CCC[C@H]4c4ccccc4)N3C(=O)[C@@H](NC(=O)[C@H](C)NC)C2)CC[C@H]2CCC(C(=O)N[C@@H]3CCC[C@H]3c3ccccc3)N2C1=O
|
C58H86N12O8 1079.402000 |
KXJVNGXNMLYVMB-ZMSLUDATSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM139097
|
Local ready
Direct docking supported
|
|
E3L006043
BDB006043
|
BDBM139098
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)NCCCCCCNC(=O)N2CC[C@H]3CC[C@@H](C(=O)N[C@@H]4CCC[C@@H]4c4ccccc4)N3C(=O)[C@@H](NC(=O)[C@H](C)NC)C2)CC[C@H]2CCC(C(=O)N[C@@H]3CCC[C@@H]3c3ccccc3)N2C1=O
|
C58H86N12O8 1079.402000 |
KXJVNGXNMLYVMB-VHDPEAEESA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM139098
|
Local ready
Direct docking supported
|
|
E3L006044
BDB006044
|
BDBM139099
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)NCCCCCCNC(=O)N2CC[C@H]3CC[C@@H](C(=O)N[C@H]4CCC[C@H]4c4ccccc4)N3C(=O)[C@@H](NC(=O)[C@H](C)NC)C2)CC[C@H]2CCC(C(=O)N[C@H]3CCC[C@H]3c3ccccc3)N2C1=O
|
C58H86N12O8 1079.402000 |
KXJVNGXNMLYVMB-CTUVUOJASA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM139099
|
Local ready
Direct docking supported
|
|
E3L006045
BDB006045
|
BDBM139100
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)NCCCCCCNC(=O)N2CC[C@H]3CC[C@@H](C(=O)NC4Cc5ccccc5C4)N3C(=O)[C@@H](NC(=O)[C@H](C)NC)C2)CC[C@H]2CCC(C(=O)NC3Cc4ccccc4C3)N2C1=O
|
C54H78N12O8 1023.294000 |
SSMLZQXCERBKCH-WFKJSGNSSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM139100
|
Local ready
Direct docking supported
|
|
E3L006046
BDB006046
|
BDBM139101
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)NCCCCCCNC(=O)N2CC[C@H]3CC[C@@H](C(=O)NCCc4ccccc4)N3C(=O)[C@@H](NC(=O)[C@H](C)NC)C2)CC[C@H]2CCC(C(=O)NCCc3ccccc3)N2C1=O
|
C52H78N12O8 999.272000 |
VNBXYFKLTWEKEB-QPMVJWOKSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM139101
|
Local ready
Direct docking supported
|
|
E3L006047
BDB006047
|
BDBM139102
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)NCCCCCCNC(=O)N2CC[C@H]3CC[C@@H](C(=O)N[C@H]4CC[C@@H]4c4ccccc4)N3C(=O)[C@@H](NC(=O)[C@H](C)NC)C2)CC[C@H]2CCC(C(=O)N[C@H]3CC[C@@H]3c3ccccc3)N2C1=O
|
C56H82N12O8 1051.348000 |
NYPPPTCQFODWDD-KZDYRXLVSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM139102
|
Local ready
Direct docking supported
|
|
E3L006048
BDB006048
|
BDBM139103
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)NCCCCCCNC(=O)N2CC[C@H]3CC[C@@H](C(=O)N[C@H]4C[C@H](c5ccccc5)C4)N3C(=O)[C@@H](NC(=O)[C@H](C)NC)C2)CC[C@H]2CCC(C(=O)N[C@H]3C[C@H](c4ccccc4)C3)N2C1=O
|
C56H82N12O8 1051.348000 |
WQMKNMZJGAAGQE-KLHDFXFJSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM139103
|
Local ready
Direct docking supported
|
|
E3L006049
BDB006049
|
BDBM139104
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)NCCCCCCNC(=O)N2CC[C@H]3CC[C@@H](C(=O)N[C@H]4C[C@@H](c5ccccc5)C4)N3C(=O)[C@@H](NC(=O)[C@H](C)NC)C2)CC[C@H]2CCC(C(=O)N[C@H]3C[C@@H](c4ccccc4)C3)N2C1=O
|
C56H82N12O8 1051.348000 |
WQMKNMZJGAAGQE-MRLHDOQOSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM139104
|
Local ready
Direct docking supported
|
|
E3L006050
BDB006050
|
US8889696, Staurosporine
CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
|
C27H24N4O3 452.514000 |
YISMQBFJYDFMAL-AESIHLKFSA-N | O14965, P51617, P51948 | Cyclin-H, Interleukin-1 receptor-associated kinase 1, Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM139540; PubChem:CID91669270
|
Local ready
Direct docking supported
|
|
E3L006051
BDB006051
|
BDBM139629
O=c1[nH]nc2c3c(cccc13)N=C(CN1CCC(O)CC1)N2
|
C15H17N5O2 299.334000 |
BOBNZWZKFCWBBG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139629; PubChem:CID135921540
|
Local ready
Direct docking supported
|
|
E3L006052
BDB006052
|
BDBM139630
O=c1[nH]nc2c3c(cccc13)N=C(CN1CCN(c3ccccc3)CC1)N2
|
C20H20N6O 360.421000 |
AMMLPTCEPOYREC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139630; PubChem:CID135921557
|
Local ready
Direct docking supported
|
|
E3L006053
BDB006053
|
BDBM139631
O=c1[nH]nc2c3c(cccc13)N=C(CN1CCC(Cc3ccccc3)CC1)N2
|
C22H23N5O 373.460000 |
SUUKGPURQJLAAU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139631; PubChem:CID135921558
|
Local ready
Direct docking supported
|
|
E3L006054
BDB006054
|
BDBM139632
O=c1[nH]nc2c3c(cccc13)N=C(COc1ccccc1)N2
|
C16H12N4O2 292.298000 |
XEXBDNVJMSPWGD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139632; PubChem:CID135921559
|
Local ready
Direct docking supported
|
|
E3L006055
BDB006055
|
BDBM139633
O=c1[nH]nc2c3c(cccc13)N=C(CN1CC=C(c3ccc(F)cc3)CC1)N2
|
C21H18FN5O 375.407000 |
BTXCJZJJXNJZAB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139633; PubChem:CID135921560
|
Local ready
Direct docking supported
|
|
E3L006056
BDB006056
|
BDBM139634
O=c1[nH]nc2c3c(cccc13)N=C(CN1CCN(c3ccc(Cl)cc3)CC1)N2
|
C20H19ClN6O 394.866000 |
SCCNIVVUAFOBCA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139634; PubChem:CID135921561
|
Local ready
Direct docking supported
|
|
E3L006057
BDB006057
|
BDBM139635
O=c1[nH]nc2c3c(cccc13)N=C(CN1CC=C(c3ccccc3)CC1)N2
|
C21H19N5O 357.417000 |
QXRMUEUEOSRZCU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139635; PubChem:CID135858773
|
Local ready
Direct docking supported
|
|
E3L006058
BDB006058
|
BDBM139636
O=c1[nH]nc2c3c(cccc13)N=C(CNCc1ccc(Cl)c(Cl)c1)N2
|
C17H13Cl2N5O 374.231000 |
ZFWYGAQSNSBQHQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139636; PubChem:CID135921563
|
Local ready
Direct docking supported
|
|
E3L006059
BDB006059
|
BDBM139637
O=c1[nH]nc2c3c(cccc13)N=C(CNCCc1cccc(F)c1)N2
|
C18H16FN5O 337.358000 |
YQPHVGZWALUTJX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139637; PubChem:CID135921296
|
Local ready
Direct docking supported
|
|
E3L006060
BDB006060
|
BDBM139638
O=c1[nH]nc2c3c(cccc13)N=C(CNCc1cccc(C(F)(F)F)c1)N2
|
C18H14F3N5O 373.338000 |
YEYMMWGQIVDEJH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139638; PubChem:CID135921297
|
Local ready
Direct docking supported
|