| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L016541
BDB016541
|
BDBM371058
Cc1nc(C)c(Cn2c(=O)n(Cc3c(C)noc3C)c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)s1
|
C24H27N5O5S2 529.644000 |
ILCIQUIBIQUDKE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM371058; PubChem:CID121398544
|
Local ready
Direct docking supported
|
|
E3L016542
BDB016542
|
BDBM371066
Cc1cc(Cn2c(=O)n(Cc3cnn(C)c3)c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)n(C)n1
|
C23H27N7O4S 497.581000 |
OVZCFDSZHNYEBG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM371066; PubChem:CID121398630
|
Local ready
Direct docking supported
|
|
E3L016543
BDB016543
|
BDBM371073
Cc1cc(Cn2c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc3n(C)c2=O)on1
|
C18H20N4O5S 404.448000 |
JXROTDVXUCWZRJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM371073; PubChem:CID134169699
|
Local ready
Direct docking supported
|
|
E3L016544
BDB016544
|
US10239843, Example 293
CC(C)OCc1nn(Cc2cnn(C)c2)c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc12
|
C21H27N5O4S 445.545000 |
IQWKHYRAKNDDPR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM371186; PubChem:CID172636588
|
Local ready
Direct docking supported
|
|
E3L016545
BDB016545
|
US10239843, Example 298
Cc1cc(Cn2nc(Cc3ccccc3)c3ccc(S(=O)(=O)NC4(C)CC4)cc3c2=O)on1
|
C24H24N4O4S 464.547000 |
WQMVLRNWMAMWNL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM371191; PubChem:CID121398619
|
Local ready
Direct docking supported
|
|
E3L016546
BDB016546
|
US10239843, Example 308
Cc1cc(Cn2nc(CC3CCOCC3)c3ccc(S(=O)(=O)NC4(C)CC4)cc3c2=O)on1
|
C23H28N4O5S 472.567000 |
MGHNLFZWYMVMCS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM371201; PubChem:CID121398638
|
Local ready
Direct docking supported
|
|
E3L016547
BDB016547
|
US10239843, Example 311
Cc1cc(Cn2cc(C(=O)C3CC3)c3ccc(S(=O)(=O)NC4(C)CC4)cc3c2=O)on1
|
C22H23N3O5S 441.509000 |
IDFPLLUXTURGIG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM371204; PubChem:CID121398327
|
Local ready
Direct docking supported
|
|
E3L016548
BDB016548
|
BDBM371355
Cc1nc(C)c(Cn2c(=O)n(Cc3cnn(C)c3)c(=O)c3cc(S(=O)(=O)NC4(CF)CC4)ccc32)s1
|
C23H25FN6O4S2 532.623000 |
QSHKKNSDUMYDCS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM371355; PubChem:CID121398131
|
Local ready
Direct docking supported
|
|
E3L016549
BDB016549
|
BDBM371376
CC1(NS(=O)(=O)c2ccc3ccnc(Cl)c3c2)CC1
|
C13H13ClN2O2S 296.779000 |
HJSXARKGWKUBAJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM371376; PubChem:CID121398667
|
Local ready
Direct docking supported
|
|
E3L016550
BDB016550
|
BDBM371493
CCn1c(=O)n(Cc2nnc(C)s2)c(=O)c2cc(S(=O)(=O)NC3(CF)CC3)ccc21
|
C18H20FN5O4S2 453.521000 |
XFDSEVCZBSTXSY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM371493; PubChem:CID121398761
|
Local ready
Direct docking supported
|
|
E3L016551
BDB016551
|
US10239861, Example 1
CN1CCCCC(Nc2cnn(C)c(=O)c2Cl)C1
|
C12H19ClN4O 270.764000 |
FFWRQIIGTISRFA-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM371521; PubChem:CID121472623
|
Local ready
Direct docking supported
|
|
E3L016552
BDB016552
|
US10239861, Example 4
CN1CCCC(Nc2cnn(C)c(=O)c2Cl)CC1
|
C12H19ClN4O 270.764000 |
OUXDYGZBGLTVRL-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM371524; PubChem:CID121476455
|
Local ready
Direct docking supported
|
|
E3L016553
BDB016553
|
BDBM371525
CN1[C@@H]2CC[C@H]1C[C@@H](Nc1cnn(C)c(=O)c1Cl)C2
|
C13H19ClN4O 282.775000 |
SQYCIYZYXUMJEO-ILWJIGKKSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB
BindingDB:BDBM371525
|
Local ready
Direct docking supported
|
|
E3L016554
BDB016554
|
BDBM371526
CN1[C@@H]2CC[C@H]1C[C@H](Nc1cnn(C)c(=O)c1Cl)C2
|
C13H19ClN4O 282.775000 |
SQYCIYZYXUMJEO-OWUUHHOZSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB
BindingDB:BDBM371526
|
Local ready
Direct docking supported
|
|
E3L016555
BDB016555
|
US10239861, Example 7
Cn1ncc(N[C@@H]2CCCN(Cc3ccccc3)C2)c(Cl)c1=O
|
C17H21ClN4O 332.835000 |
XPMSGNKIIJCSLZ-CQSZACIVSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM371527; PubChem:CID52676630
|
Local ready
Direct docking supported
|
|
E3L016556
BDB016556
|
US10239861, Example 8
Cn1ncc(N[C@H]2CCCN(Cc3ccccc3)C2)c(Cl)c1=O
|
C17H21ClN4O 332.835000 |
XPMSGNKIIJCSLZ-AWEZNQCLSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM371528; PubChem:CID52676632
|
Local ready
Direct docking supported
|
|
E3L016557
BDB016557
|
US10239861, Example 9
Cn1ncc(NC2CCCN(c3ccccn3)C2)c(Cl)c1=O
|
C15H18ClN5O 319.796000 |
XZMIUZUJAHVGHS-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM371529; PubChem:CID121476456
|
Local ready
Direct docking supported
|
|
E3L016558
BDB016558
|
US10239861, Example 10
Cn1ncc(NC2CN3CCC2CC3)c(Cl)c1=O
|
C12H17ClN4O 268.748000 |
AIAAIVNQKJTMCM-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM371530; PubChem:CID114417743
|
Local ready
Direct docking supported
|
|
E3L016559
BDB016559
|
US10239861, Example 11
CN1C=C(Cl)C(NC2CCCOC2)=CN1
|
C10H16ClN3O 229.711000 |
QSVIXXIANJJWBT-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM371531; PubChem:CID145713115
|
Local ready
Direct docking supported
|
|
E3L016560
BDB016560
|
US10239861, Example 13
CN1CCCCC(Nc2cnn(C)c(=O)c2Br)C1
|
C12H19BrN4O 315.215000 |
BLRFIFBTQDDXDE-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM371533; PubChem:CID121472624
|
Local ready
Direct docking supported
|