| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L064361
BDB064361
|
BDBM50631535
COc1cc(CN2CCOc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1
|
C30H31FN4O4 530.600000 |
KLFBZLMEAVVEOS-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50631535; PubChem:CID155382331
|
Local ready
Direct docking supported
|
|
E3L064362
BDB064362
|
BDBM50631536
COc1cc(CN2CC(=O)Nc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1
|
C30H30FN5O4 543.599000 |
LYDQZWAZFFPXAQ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50631536; PubChem:CID155382168
|
Local ready
Direct docking supported
|
|
E3L064363
BDB064363
|
BDBM50631537
COc1cc(CN2CCNc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1
|
C30H32FN5O3 529.616000 |
LHOMSBUTZVALQI-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50631537; PubChem:CID155382172
|
Local ready
Direct docking supported
|
|
E3L064364
BDB064364
|
BDBM50631538
CCn1cc(-c2cc(Cn3ccnc3)cc3c2OCCN([C@H](c2cc(OC)ccn2)C2CC2)C3=O)c(C(F)(F)F)n1
|
C29H29F3N6O3 566.584000 |
CWWDKVDXNLGSHY-VWLOTQADSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50631538; PubChem:CID155369529
|
Local ready
Direct docking supported
|
|
E3L064365
BDB064365
|
BDBM50631539
CCn1cc(-c2cc(Cn3ccnc3)cc3c2NCN([C@H](c2cc(OC)ccn2)C2CC2)C3=O)c(C(F)(F)F)n1
|
C28H28F3N7O2 551.573000 |
GFMPRGZTLIKKFV-VWLOTQADSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50631539; PubChem:CID172459930
|
Local ready
Direct docking supported
|
|
E3L064366
BDB064366
|
BDBM50631540
COc1cnc2cccc(N3CCc4c(cc(Cn5ccnc5)cc4-c4cn(C)nc4C(F)(F)F)C3=O)c2c1
|
C28H23F3N6O2 532.526000 |
OHQJCMRWBTXWPF-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50631540; PubChem:CID167314447
|
Local ready
Direct docking supported
|
|
E3L064367
BDB064367
|
BDBM50631541
CCc1cc(OC)c2nccc(N3CCc4c(cc(Cn5ccnc5)cc4-c4cn(C)nc4C(F)(F)F)C3=O)c2c1
|
C30H27F3N6O2 560.580000 |
GKMOABIBMOIMEJ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50631541; PubChem:CID167314504
|
Local ready
Direct docking supported
|
|
E3L064368
BDB064368
|
BDBM50631542
COc1cnc2cccc(N3CCOc4c(cc(Cn5ccnc5)cc4-c4cn(C)nc4C(F)(F)F)C3=O)c2c1
|
C28H23F3N6O3 548.525000 |
FKSTZJVXESJFRS-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50631542; PubChem:CID155382278
|
Local ready
Direct docking supported
|
|
E3L064369
BDB064369
|
BDBM50631543
CCc1cc(OC)c2nccc(N3CCOc4c(cc(Cn5ccnc5)cc4-c4cn(C)nc4C(F)(F)F)C3=O)c2c1
|
C30H27F3N6O3 576.579000 |
FRYNOSFCEFAFOX-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50631543; PubChem:CID155382186
|
Local ready
Direct docking supported
|
|
E3L064370
BDB064370
|
BDBM50631544
CCc1cc(OC)c2nccc(N3COc4c(cc(Cn5ccnc5)cc4-c4cn(C)nc4C(F)(F)F)C3=O)c2c1
|
C29H25F3N6O3 562.552000 |
HXBMBWNJVZICES-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50631544; PubChem:CID172445081
|
Local ready
Direct docking supported
|
|
E3L064371
BDB064371
|
BDBM50631545
COc1ccc2c(c1)C(N1CCOc3c(cc(Cn4ccnc4C)cc3-c3cn(C)nc3C(F)(F)F)C1=O)CCC2
|
C30H30F3N5O3 565.596000 |
IGAOEWLHZMAHFW-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM50631545
|
Local ready
Direct docking supported
|
|
E3L064372
BDB064372
|
BDBM50631546
CCn1cc(-c2cc(Cn3ccnc3C)cc3c2OCCN([C@H]2CCOc4ccc(OC)cc42)C3=O)c(C(F)(F)F)n1
|
C30H30F3N5O4 581.595000 |
FDCJPULEHRJDGT-VWLOTQADSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50631546; PubChem:CID155382193
|
Local ready
Direct docking supported
|
|
E3L064373
BDB064373
|
BDBM50631547
CCn1cc(-c2cc(Cn3ccnc3)cc3c2OCCN([C@H]2CCOc4ccc(OC)cc42)C3=O)c(C(F)(F)F)n1
|
C29H28F3N5O4 567.568000 |
GOVJZVCNGLOGNS-DEOSSOPVSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM50631547
|
Local ready
Direct docking supported
|
|
E3L064374
BDB064374
|
Wdr5-IN-7
COc1cnc2c(c1)[C@@H](N1CCOc3c(cc(Cn4ccnc4)cc3-c3cn(C)nc3C(F)(F)F)C1=O)CCC2
|
C28H27F3N6O3 552.557000 |
OTVQRTLMBVTANG-DEOSSOPVSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50631548; PubChem:CID169494257
|
Local ready
Direct docking supported
|
|
E3L064375
BDB064375
|
BDBM50631549
CCc1cnc2c(c1)[C@@H](N1CCOc3c(cc(Cn4ccnc4)cc3-c3cn(C)nc3C(F)(F)F)C1=O)CCC2
|
C29H29F3N6O2 550.585000 |
UNJHUGGXCYVFOK-VWLOTQADSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50631549; PubChem:CID172464232
|
Local ready
Direct docking supported
|
|
E3L064376
BDB064376
|
BDBM50631550
CCc1cc(C(=O)NC)c2nccc(N3CCc4c(cc(Cn5ccnc5)cc4-c4cn(C)nc4C(F)(F)F)C3=O)c2c1
|
C31H28F3N7O2 587.606000 |
SHGMSJNVTCKQHS-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50631550; PubChem:CID166449496
|
Local ready
Direct docking supported
|
|
E3L064377
BDB064377
|
BDBM50631551
O=c1[nH]c(CCCN2CCC(c3ccccc3)CC2)nc2cccc(Cl)c12
|
C22H24ClN3O 381.907000 |
RGOOUZDKFUXEGZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50631551; PubChem:CID136376414
|
Local ready
Direct docking supported
|
|
E3L064378
BDB064378
|
BDBM50631552
Cc1cccc2c(=O)[nH]c(CCCN3CCC(c4ccc(F)cc4)CC3)nc12
|
C23H26FN3O 379.479000 |
HLAHINFHXDROJP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50631552; PubChem:CID172440114
|
Local ready
Direct docking supported
|
|
E3L064379
BDB064379
|
BDBM50631553
N#Cc1ccc(C2CCN(CCCc3nc4c(Cl)cccc4c(=O)[nH]3)CC2)cc1
|
C23H23ClN4O 406.917000 |
VXYSCPNHOZCHHO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50631553; PubChem:CID172442749
|
Local ready
Direct docking supported
|
|
E3L064380
BDB064380
|
BDBM50631554
O=c1[nH]c(CCCN2CCN(c3ccccc3)CC2)nc2cccc(Cl)c12
|
C21H23ClN4O 382.895000 |
DXBJWAWQZDLDNB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50631554; PubChem:CID172466042
|
Local ready
Direct docking supported
|