| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L064701
BDB064701
|
Nsd3-IN-3
CCOc1ccc(OCCn2c(S)nc3c(N)ncnc32)cc1
|
C15H17N5O2S 331.401000 |
CPVQNKHOVSEOTA-UHFFFAOYSA-N | Q9BZ95 | Histone-lysine N-methyltransferase NSD3 |
BindingDB, PubChem
BindingDB:BDBM50637595; PubChem:CID805136
|
Local ready
Direct docking supported
|
|
E3L064702
BDB064702
|
6-Amino-9-[2-(4-fluorophenoxy)ethyl]-9H-purine
Nc1ncnc2c1ncn2CCOc1ccc(F)cc1
|
C13H12FN5O 273.271000 |
LNHTTZWPBXACSA-UHFFFAOYSA-N | O96028, Q9BZ95 | Histone-lysine N-methyltransferase NSD3, Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50637596; PubChem:CID85989513
|
Local ready
Direct docking supported
|
|
E3L064703
BDB064703
|
9-[2-(4-chlorophenoxy)ethyl]-9H-purin-6-ylamine
Nc1ncnc2c1ncn2CCOc1ccc(Cl)cc1
|
C13H12ClN5O 289.726000 |
NECCVFMLXAOCSZ-UHFFFAOYSA-N | O96028, Q9BZ95 | Histone-lysine N-methyltransferase NSD2, Histone-lysine N-methyltransferase NSD3 |
BindingDB, PubChem
BindingDB:BDBM50637597; PubChem:CID30470502
|
Local ready
Direct docking supported
|
|
E3L064704
BDB064704
|
Nsd-IN-3
Nc1ncnc2c1ncn2CCOc1ccc(Br)cc1
|
C13H12BrN5O 334.177000 |
KEUZGQNTDMYNJZ-UHFFFAOYSA-N | O96028, Q9BZ95 | Histone-lysine N-methyltransferase NSD2, Histone-lysine N-methyltransferase NSD3 |
BindingDB, PubChem
BindingDB:BDBM50637598; PubChem:CID61675786
|
Local ready
Direct docking supported
|
|
E3L064705
BDB064705
|
9-[2-(4-Iodophenoxy)ethyl]purin-6-amine
Nc1ncnc2c1ncn2CCOc1ccc(I)cc1
|
C13H12IN5O 381.177000 |
JIBUXWLGVKLYOX-UHFFFAOYSA-N | O96028, Q9BZ95 | Histone-lysine N-methyltransferase NSD3, Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50637599; PubChem:CID85989527
|
Local ready
Direct docking supported
|
|
E3L064706
BDB064706
|
9-[2-[4-(Trifluoromethyl)phenoxy]ethyl]purin-6-amine
Nc1ncnc2c1ncn2CCOc1ccc(C(F)(F)F)cc1
|
C14H12F3N5O 323.278000 |
LMIWLTNQTQCAFF-UHFFFAOYSA-N | O96028, Q9BZ95 | Histone-lysine N-methyltransferase NSD2, Histone-lysine N-methyltransferase NSD3 |
BindingDB, PubChem
BindingDB:BDBM50637600; PubChem:CID163198856
|
Local ready
Direct docking supported
|
|
E3L064707
BDB064707
|
9-[2-(4-methoxyphenoxy)ethyl]-9H-purin-6-ylamine
COc1ccc(OCCn2cnc3c(N)ncnc32)cc1
|
C14H15N5O2 285.307000 |
YSVQBYRFAUILJW-UHFFFAOYSA-N | Q9BZ95 | Histone-lysine N-methyltransferase NSD3 |
BindingDB, PubChem
BindingDB:BDBM50637601; PubChem:CID43829133
|
Local ready
Direct docking supported
|
|
E3L064708
BDB064708
|
4-[2-(6-Aminopurin-9-yl)ethoxy]benzonitrile
N#Cc1ccc(OCCn2cnc3c(N)ncnc32)cc1
|
C14H12N6O 280.291000 |
ZNRRBKKNBIYMJF-UHFFFAOYSA-N | O96028, Q9BZ95 | Histone-lysine N-methyltransferase NSD2, Histone-lysine N-methyltransferase NSD3 |
BindingDB, PubChem
BindingDB:BDBM50637602; PubChem:CID61675704
|
Local ready
Direct docking supported
|
|
E3L064709
BDB064709
|
9-[2-(3-Chlorophenoxy)ethyl]purin-6-amine
Nc1ncnc2c1ncn2CCOc1cccc(Cl)c1
|
C13H12ClN5O 289.726000 |
OABYACGENXYGQN-UHFFFAOYSA-N | Q9BZ95 | Histone-lysine N-methyltransferase NSD3 |
BindingDB, PubChem
BindingDB:BDBM50637603; PubChem:CID85989519
|
Local ready
Direct docking supported
|
|
E3L064710
BDB064710
|
4-[2-(6-Aminopurin-9-yl)ethoxy]-2-chlorobenzonitrile
N#Cc1ccc(OCCn2cnc3c(N)ncnc32)cc1Cl
|
C14H11ClN6O 314.736000 |
DNPCMHFWLKAUJY-UHFFFAOYSA-N | O96028, Q9BZ95 | Histone-lysine N-methyltransferase NSD2, Histone-lysine N-methyltransferase NSD3 |
BindingDB, PubChem
BindingDB:BDBM50637604; PubChem:CID170551573
|
Local ready
Direct docking supported
|
|
E3L064711
BDB064711
|
BDBM50637605
N#Cc1ccc(OCCn2cnc3c(N)ncnc32)cc1C#N
|
C15H11N7O 305.301000 |
VCTOVJHRLMDIGQ-UHFFFAOYSA-N | O96028, Q9BZ95 | Histone-lysine N-methyltransferase NSD2, Histone-lysine N-methyltransferase NSD3 |
BindingDB, PubChem
BindingDB:BDBM50637605; PubChem:CID170551580
|
Local ready
Direct docking supported
|
|
E3L064712
BDB064712
|
9-[2-(2-Chloro-4-methylphenoxy)ethyl]purin-6-amine
Cc1ccc(OCCn2cnc3c(N)ncnc32)c(Cl)c1
|
C14H14ClN5O 303.753000 |
LYYVRAKDYAJHHL-UHFFFAOYSA-N | Q9BZ95 | Histone-lysine N-methyltransferase NSD3 |
BindingDB, PubChem
BindingDB:BDBM50637606; PubChem:CID85989402
|
Local ready
Direct docking supported
|
|
E3L064713
BDB064713
|
9-[2-(4-Bromo-2-fluorophenoxy)ethyl]purin-6-amine
Nc1ncnc2c1ncn2CCOc1ccc(Br)cc1F
|
C13H11BrFN5O 352.167000 |
VRIVDDNJQWMIRP-UHFFFAOYSA-N | O96028, Q9BZ95 | Histone-lysine N-methyltransferase NSD2, Histone-lysine N-methyltransferase NSD3 |
BindingDB, PubChem
BindingDB:BDBM50637607; PubChem:CID170551584
|
Local ready
Direct docking supported
|
|
E3L064714
BDB064714
|
9-[2-(4-Bromo-3-fluorophenoxy)ethyl]purin-6-amine
Nc1ncnc2c1ncn2CCOc1ccc(Br)c(F)c1
|
C13H11BrFN5O 352.167000 |
JKYDSBGVHKVKLG-UHFFFAOYSA-N | O96028, Q9BZ95 | Histone-lysine N-methyltransferase NSD3, Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50637608; PubChem:CID170551572
|
Local ready
Direct docking supported
|
|
E3L064715
BDB064715
|
5-[2-(6-Aminopurin-9-yl)ethoxy]pyridine-2-carbonitrile
N#Cc1ccc(OCCn2cnc3c(N)ncnc32)cn1
|
C13H11N7O 281.279000 |
BZWSHAQVPTYVSN-UHFFFAOYSA-N | O96028, Q9BZ95 | Histone-lysine N-methyltransferase NSD3, Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50637609; PubChem:CID170551583
|
Local ready
Direct docking supported
|
|
E3L064716
BDB064716
|
BDBM50637610
N#Cc1ccc(OCCn2c(S)nc3c(N)ncnc32)cc1
|
C14H12N6OS 312.358000 |
IOZHABSMAWQUDF-UHFFFAOYSA-N | Q9BZ95 | Histone-lysine N-methyltransferase NSD3 |
BindingDB, PubChem
BindingDB:BDBM50637610; PubChem:CID170551571
|
Local ready
Direct docking supported
|
|
E3L064717
BDB064717
|
4-[2-(6-amino-8-oxo-7H-purin-9-yl)ethoxy]benzonitrile
N#Cc1ccc(OCCn2c(O)nc3c(N)ncnc32)cc1
|
C14H12N6O2 296.290000 |
GMPZSQLBUVZIEX-UHFFFAOYSA-N | O96028, Q9BZ95 | Histone-lysine N-methyltransferase NSD3, Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50637611; PubChem:CID170551578
|
Local ready
Direct docking supported
|
|
E3L064718
BDB064718
|
BDBM50637898
COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@H]3CC[C@H](N4CCN(C)C(=O)C4)CC3)cc1)C(=O)C2
|
C38H47ClN4O4 659.271000 |
CLRSLRWKONPSRQ-IIPSPAQQSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50637898
|
Local ready
Direct docking supported
|
|
E3L064719
BDB064719
|
BDBM50637899
O=C1CN(C(=O)N2C(c3ccc4c(c3)C(=O)NCC(=O)N4c3ccccc3)=N[C@@H](c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)CCN1
|
C35H28Cl2N6O4 667.553000 |
FWVQSVLYFOJBHQ-AJQTZOPKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50637899; PubChem:CID172443161
|
Local ready
Direct docking supported
|
|
E3L064720
BDB064720
|
BDBM50638265
COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)cc(Br)c1OC(=O)C(C)(C)C
|
C20H20BrN3O4 446.301000 |
MXAQFFKLNMZRSV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50638265; PubChem:CID175450857
|
Local ready
Direct docking supported
|