| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L060641
BDB060641
|
BDBM50562612
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCNC(=O)c2ccc(-c3cnc(NCc4ccco4)n4cnnc34)cc2)C(C)(C)C)cc1
|
C43H48N10O6S 832.988000 |
PPNNFXIBKLCMTI-WXEAQWFJSA-N | O75530 | Polycomb protein EED |
BindingDB
BindingDB:BDBM50562612
|
Local ready
Direct docking supported
|
|
E3L060642
BDB060642
|
BDBM50562646
NC(=O)c1cccc2cc(C(=O)N3CCN(c4nc(-c5cnc(N)cc5C(F)(F)F)nc(N5CCOCC5)n4)CC3)oc12
|
C27H26F3N9O4 597.558000 |
NBUIWUDKADDAKC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50562646; PubChem:CID138667945
|
Local ready
Direct docking supported
|
|
E3L060643
BDB060643
|
BDBM50562647
NC(=O)c1cccc2cc(C(=O)N3CCN(c4nc(-c5ccc(N)nc5)nc(N5CCOCC5)n4)CC3)oc12
|
C26H27N9O4 529.561000 |
XDVDXJJYSVRAJX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50562647; PubChem:CID138667943
|
Local ready
Direct docking supported
|
|
E3L060644
BDB060644
|
BDBM50562648
NC(=O)c1cccc2cc(C(=O)N3CCN(c4nc(-c5cnc(N)nc5)nc(N5CCOCC5)n4)CC3)oc12
|
C25H26N10O4 530.549000 |
ORFAAEFWFKRACI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50562648; PubChem:CID138668243
|
Local ready
Direct docking supported
|
|
E3L060645
BDB060645
|
BDBM50562649
NC(=O)c1cccc2cc(C(=O)N3CCN(c4nc(-c5cnc(NC(=O)CN6CCOCC6)cc5C(F)(F)F)nc(N5CCOCC5)n4)CC3)oc12
|
C33H35F3N10O6 724.701000 |
DFAIABHDMOLQDA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50562649
|
Local ready
Direct docking supported
|
|
E3L060646
BDB060646
|
BDBM50562958
N#Cc1ccc(C(=O)N2CCCC2c2ccc(Cl)cc2)cc1
|
C18H15ClN2O 310.784000 |
XJPAFFIKAUYDIG-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50562958; PubChem:CID45874401
|
Local ready
Direct docking supported
|
|
E3L060647
BDB060647
|
4-(2-Phenylpyrrolidine-1-carbonyl)benzonitrile
N#Cc1ccc(C(=O)N2CCCC2c2ccccc2)cc1
|
C18H16N2O 276.339000 |
OECRRFQZOUXUPL-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50562959; PubChem:CID47017826
|
Local ready
Direct docking supported
|
|
E3L060648
BDB060648
|
BDBM50562960
COc1ccc(C2CCCN2C(=O)c2ccc(C#N)cc2)cc1
|
C19H18N2O2 306.365000 |
AWDWOBNOEJNFCL-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50562960; PubChem:CID42919735
|
Local ready
Direct docking supported
|
|
E3L060649
BDB060649
|
4-(2-Pyridin-4-ylpyrrolidine-1-carbonyl)benzonitrile
N#Cc1ccc(C(=O)N2CCCC2c2ccncc2)cc1
|
C17H15N3O 277.327000 |
FGGQYJPFNJAXLQ-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50562961; PubChem:CID45836489
|
Local ready
Direct docking supported
|
|
E3L060650
BDB060650
|
BDBM50562962
N#Cc1ccc(C(=O)N2CCCC2c2ccc3c(c2)OCCO3)cc1
|
C20H18N2O3 334.375000 |
RWQVOCGUFUWPDN-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50562962; PubChem:CID17515111
|
Local ready
Direct docking supported
|
|
E3L060651
BDB060651
|
4-(2-Thiophen-3-ylpyrrolidine-1-carbonyl)benzonitrile
N#Cc1ccc(C(=O)N2CCCC2c2ccsc2)cc1
|
C16H14N2OS 282.368000 |
ZPPBIPYUGJCEQA-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50562963; PubChem:CID45893556
|
Local ready
Direct docking supported
|
|
E3L060652
BDB060652
|
BDBM50562964
COC(=O)c1ccc(C(=O)N2CCCC2c2ccc(F)cc2)cc1
|
C19H18FNO3 327.355000 |
LGLGCIXKNFHFJZ-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50562964; PubChem:CID70759121
|
Local ready
Direct docking supported
|
|
E3L060653
BDB060653
|
BDBM50562965
O=C(c1ccc(N2CNC=N2)cc1)N1CCCC1c1ccc(F)cc1
|
C19H19FN4O 338.386000 |
KGGCDCLRIGGOAO-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50562965; PubChem:CID162654754
|
Local ready
Direct docking supported
|
|
E3L060654
BDB060654
|
BDBM50562966
N#Cc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1
|
C18H15FN2O 294.329000 |
GANZESJYJAYISW-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50562966; PubChem:CID27831641
|
Local ready
Direct docking supported
|
|
E3L060655
BDB060655
|
4-cyano-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CN(Cc1ccc(F)cc1)C(=O)c1ccc(C#N)cc1
|
C16H13FN2O 268.291000 |
RTMJZHDLXWKYAF-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50562967; PubChem:CID7970923
|
Local ready
Direct docking supported
|
|
E3L060656
BDB060656
|
BDBM50562968
N#Cc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CCC2)cc1
|
C19H17FN2O 308.356000 |
ALSUEUGZTSVRQL-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50562968; PubChem:CID162663185
|
Local ready
Direct docking supported
|
|
E3L060657
BDB060657
|
4-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
N#Cc1ccc(C(=O)N(Cc2cccs2)C2CC2)cc1
|
C16H14N2OS 282.368000 |
WYAGGMZTARRIDX-UHFFFAOYSA-N | O96028, Q9BZ95 | Histone-lysine N-methyltransferase NSD2, Histone-lysine N-methyltransferase NSD3 |
BindingDB, PubChem
BindingDB:BDBM50562969; PubChem:CID37484611
|
Local ready
Direct docking supported
|
|
E3L060658
BDB060658
|
4-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
N#Cc1ccc(C(=O)N(CC2CCOC2)C2CC2)cc1
|
C16H18N2O2 270.332000 |
JPZDEPRCOUWPRE-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50562970; PubChem:CID47209994
|
Local ready
Direct docking supported
|
|
E3L060659
BDB060659
|
BDBM50562971
N#Cc1ccc(C(C(N)=O)N2CCC2c2ccc(Cl)cc2)cc1
|
C18H16ClN3O 325.799000 |
HJVJIZUPAQKKKD-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50562971; PubChem:CID75430881
|
Local ready
Direct docking supported
|
|
E3L060660
BDB060660
|
1,2,3,4,5,6,7,8-Octachloro-9h-carbazole
Clc1c(Cl)c(Cl)c2c([nH]c3c(Cl)c(Cl)c(Cl)c(Cl)c32)c1Cl
|
C12HCl8N 442.771000 |
HMXCAROPJPNCQV-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50563363; PubChem:CID236488
|
Local ready
Direct docking supported
|