| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L057401
BDB057401
|
BDBM50468054
CN1CCCC1CCOC(c1cc2nccc(C(=O)O)c2s1)c1ccccc1Cl
|
C22H23ClN2O3S 430.957000 |
CKHGFLIUOABPPV-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50468054; PubChem:CID145992575
|
Local ready
Direct docking supported
|
|
E3L057402
BDB057402
|
BDBM50468269
COc1cc2ncnc(N3CCC(CN4Cc5ccccc5NC4=O)CC3)c2cc1OC
|
C24H27N5O3 433.512000 |
GWXCGEJJQFHPPA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50468269; PubChem:CID14668434
|
Local ready
Direct docking supported
|
|
E3L057403
BDB057403
|
2-(4-Tert-Butylphenyl)-1,4-Dihydroquinazolin-4-One
CC(C)(C)c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1
|
C18H18N2O 278.355000 |
QTABKBZRAZXDQK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50468271; PubChem:CID135443955
|
Local ready
Direct docking supported
|
|
E3L057404
BDB057404
|
BDBM50468499
Cc1nc(C)c(C(=O)Nc2nc(CN3C[C@H](C)C[C@H](C)C3)cs2)o1
|
C17H24N4O2S 348.472000 |
CNBKQIUIQRBCJT-PHIMTYICSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50468499; PubChem:CID95904878
|
Local ready
Direct docking supported
|
|
E3L057405
BDB057405
|
BDBM50468501
CCn1c(=O)c(C)nc2cc(C(=O)N(C)Cc3ccn(Cc4ccccc4)n3)ccc21
|
C24H25N5O2 415.497000 |
HLIFLDZPNSSPFI-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50468501; PubChem:CID145991602
|
Local ready
Direct docking supported
|
|
E3L057406
BDB057406
|
BDBM50468511
CCn1c(=O)c(=O)[nH]c2cc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)ccc21
|
C22H21N5O3 403.442000 |
WOECCYJDFDPEPV-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50468511; PubChem:CID41606711
|
Local ready
Direct docking supported
|
|
E3L057407
BDB057407
|
BDBM50468549
CCn1c(=O)c(C)nc2cc(C(=O)N[C@@H](C)c3cnn(C)c3C)ccc21
|
C19H23N5O2 353.426000 |
ZHMKNBFQCHDNKP-NSHDSACASA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50468549; PubChem:CID51940266
|
Local ready
Direct docking supported
|
|
E3L057408
BDB057408
|
BDBM50468575
O=C1[C@H](Cc2ccc(O)cc2)N2C(=O)CCN(C(=O)NCc3ccccc3)[C@H]2CN1Cc1cccc2ccccc12
|
C33H32N4O4 548.643000 |
HQWTUOLCGKIECB-XZWHSSHBSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50468575; PubChem:CID11238147
|
Local ready
Direct docking supported
|
|
E3L057409
BDB057409
|
4-(4-Carbamoylphenoxy)benzoic acid
NC(=O)c1ccc(Oc2ccc(C(=O)O)cc2)cc1
|
C14H11NO4 257.245000 |
FIHJPVBFFYAION-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50468579; PubChem:CID28825295
|
Local ready
Direct docking supported
|
|
E3L057410
BDB057410
|
4-(4-Formyl-phenoxy)-benzamide
NC(=O)c1ccc(Oc2ccc(C=O)cc2)cc1
|
C14H11NO3 241.246000 |
FWLHRSUMHBQBMO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50468581; PubChem:CID28825277
|
Local ready
Direct docking supported
|
|
E3L057411
BDB057411
|
BDBM50468622
Cc1ccccc1C(=O)n1nc(C)c(Cl)c1C
|
C13H13ClN2O 248.713000 |
AYTXEYQJJJBRRI-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50468622; PubChem:CID145992202
|
Local ready
Direct docking supported
|
|
E3L057412
BDB057412
|
3,5-dimethyl-1-(2-methylbenzoyl)-1H-pyrazole
Cc1cc(C)n(C(=O)c2ccccc2C)n1
|
C13H14N2O 214.268000 |
VFJINESDGVRQDM-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50468623; PubChem:CID3724041
|
Local ready
Direct docking supported
|
|
E3L057413
BDB057413
|
3,5-Dimethylpyrazolyl 2-naphthyl ketone
Cc1cc(C)n(C(=O)c2ccc3ccccc3c2)n1
|
C16H14N2O 250.301000 |
XRQIAALWJHJSBJ-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50468624; PubChem:CID3332652
|
Local ready
Direct docking supported
|
|
E3L057414
BDB057414
|
BDBM50468625
Cc1nn(C(=O)c2ccc(N)cc2)c(C)c1Cl
|
C12H12ClN3O 249.701000 |
WKYIUYNBWTZHOU-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50468625; PubChem:CID145991361
|
Local ready
Direct docking supported
|
|
E3L057415
BDB057415
|
BDBM50468626
Cc1ccc(C(=O)n2nc(C)c(Cl)c2C)cc1
|
C13H13ClN2O 248.713000 |
ULZAONCGOGTMJN-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50468626; PubChem:CID145979441
|
Local ready
Direct docking supported
|
|
E3L057416
BDB057416
|
1-(4-chloro-benzoyl)-3,5-dimethyl-1H-pyrazole
Cc1cc(C)n(C(=O)c2ccc(Cl)cc2)n1
|
C12H11ClN2O 234.686000 |
JXBJSVPXZCXBOC-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50468627; PubChem:CID674647
|
Local ready
Direct docking supported
|
|
E3L057417
BDB057417
|
(3,5-Dimethylpyrazol-1-yl)-(3-methylphenyl)methanone
Cc1cccc(C(=O)n2nc(C)cc2C)c1
|
C13H14N2O 214.268000 |
JHMXMEFWWLGQOR-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50468628; PubChem:CID910374
|
Local ready
Direct docking supported
|
|
E3L057418
BDB057418
|
5-methyl-2-(4-methylbenzoyl)-1H-pyrazol-3-one
Cc1ccc(C(=O)n2[nH]c(C)cc2=O)cc1
|
C12H12N2O2 216.240000 |
KEGNDIGJIMTBJP-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50468629; PubChem:CID23342610
|
Local ready
Direct docking supported
|
|
E3L057419
BDB057419
|
2-(4-aminobenzoyl)-5-methyl-1H-pyrazol-3-one
Cc1cc(=O)n(C(=O)c2ccc(N)cc2)[nH]1
|
C11H11N3O2 217.228000 |
LKCGDUPROIAFBC-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50468630; PubChem:CID145981705
|
Local ready
Direct docking supported
|
|
E3L057420
BDB057420
|
3,5-dimethyl-4-naphthalen-2-yloxy-1H-pyrazole
Cc1n[nH]c(C)c1Oc1ccc2ccccc2c1
|
C15H14N2O 238.290000 |
NUBRACGAHUQQPB-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50468631; PubChem:CID145988932
|
Local ready
Direct docking supported
|