| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L064041
BDB064041
|
BDBM50627586
O=C1NC(N[C@H]2CN3CCC2CC3)=N/C1=C\c1ccc2ncsc2c1
|
C18H19N5OS 353.451000 |
CBTNARFZVOPLBO-GSHXUFRSSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627586; PubChem:CID166523501
|
Local ready
Direct docking supported
|
|
E3L064042
BDB064042
|
BDBM50627587
CN1CCN(c2ccc(NC3=N/C(=C\c4ccc5c(c4)OCCO5)C(=O)N3)cc2)CC1
|
C23H25N5O3 419.485000 |
PBDZKKHARXQKND-RGEXLXHISA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627587; PubChem:CID172453361
|
Local ready
Direct docking supported
|
|
E3L064043
BDB064043
|
BDBM50627588
COc1ccc(/C=C2\N=C(Nc3ccc(N4CCN(C)CC4)cc3)NC2=O)cc1O
|
C22H25N5O3 407.474000 |
FSEAAXKTTYQGAY-AQTBWJFISA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627588; PubChem:CID172452785
|
Local ready
Direct docking supported
|
|
E3L064044
BDB064044
|
Sgc-ubd253N
COc1ccccc1CN(C)C(=O)Cn1c(CCC(=O)O)nc2c(Cl)cccc2c1=O
|
C22H22ClN3O5 443.887000 |
KICWUCVHRSAASF-UHFFFAOYSA-N | Q7Z569 | BRCA1-associated protein |
BindingDB, PubChem
BindingDB:BDBM50627660; PubChem:CID164946805
|
Local ready
Direct docking supported
|
|
E3L064045
BDB064045
|
BDBM50627875
O=C1COc2cc(C(=O)N(Cc3cccs3)C3CC3)ccc2N1
|
C17H16N2O3S 328.393000 |
XPHOPAPMJBSLFN-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50627875; PubChem:CID37484301
|
Local ready
Direct docking supported
|
|
E3L064046
BDB064046
|
BDBM50627876
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1ccc(NC(=O)c2ccc(CN(C(=O)c3ccc4c(c3)OCC(=O)N4)C3CC3)cc2)cc1
|
C61H87N7O18S 1238.465000 |
JXTDBIVBSAFNBJ-PLCURSASSA-N | O96028, Q9BZ95 | Histone-lysine N-methyltransferase NSD3, Histone-lysine N-methyltransferase NSD2 |
BindingDB
BindingDB:BDBM50627876
|
Local ready
Direct docking supported
|
|
E3L064047
BDB064047
|
BDBM50627877
CC(=O)N1CCC(N2C[C@@H]3C[C@@H](C2)c2ccc(-c4ccccc4CN4CCOCC4)c(=O)n2C3)CC1
|
C29H38N4O3 490.648000 |
WLGRGOGJTIXJGZ-UPVQGACJSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50627877; PubChem:CID172453508
|
Local ready
Direct docking supported
|
|
E3L064048
BDB064048
|
Ac-Gly-Val-Nle-Arg-Ile-NH2
CCCC[C@H](NC(=O)[C@@H](NC(=O)CNC(C)=O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)CC
|
C27H51N9O6 597.762000 |
HFTWJOGNIDLGNZ-ITJSPEIASA-N | O96028, Q9BZ95 | Histone-lysine N-methyltransferase NSD2, Histone-lysine N-methyltransferase NSD3 |
BindingDB, PubChem
BindingDB:BDBM50627878; PubChem:CID133082044
|
Local ready
Direct docking supported
|
|
E3L064049
BDB064049
|
1-(1-methyl-1H-benzotriazol-5-yl)-3-(3-nitrophenyl)urea
Cn1nnc2cc(NC(=O)Nc3cccc([N+](=O)[O-])c3)ccc21
|
C14H12N6O3 312.289000 |
LOTLBEUXZIPEGU-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50627879; PubChem:CID893802
|
Local ready
Direct docking supported
|
|
E3L064050
BDB064050
|
1-(1,2,3-Benzothiadiazol-6-yl)-3-(3-nitrophenyl)urea
O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc2nnsc2c1
|
C13H9N5O3S 315.314000 |
YFFSMAXJXAKYIX-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50627880; PubChem:CID172459165
|
Local ready
Direct docking supported
|
|
E3L064051
BDB064051
|
1-(1,2,3-Benzothiadiazol-6-yl)-3-(3-cyanophenyl)urea
N#Cc1cccc(NC(=O)Nc2ccc3nnsc3c2)c1
|
C14H9N5OS 295.327000 |
SCHDDXSIGNVSLT-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50627881; PubChem:CID172440244
|
Local ready
Direct docking supported
|
|
E3L064052
BDB064052
|
BDBM50627882
COC(=O)c1cc(NC(=O)Nc2ccc3nnsc3c2)cc(C(=O)OC)c1
|
C17H14N4O5S 386.389000 |
IIYNJRWBTXZLCM-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50627882; PubChem:CID172463498
|
Local ready
Direct docking supported
|
|
E3L064053
BDB064053
|
BDBM50627883
C=CC(=O)Nc1cc(NC(=O)Nc2ccc3nnsc3c2)cc(C(=O)OC)c1
|
C18H15N5O4S 397.416000 |
NQSROILJGGYNAG-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50627883; PubChem:CID172439702
|
Local ready
Direct docking supported
|
|
E3L064054
BDB064054
|
BDBM50627884
CC(=O)c1ccc(-c2cc(NC(=O)Nc3ccc4nnsc4c3)cc(C(F)(F)F)c2)s1
|
C20H13F3N4O2S2 462.478000 |
VQSROWDBLQLXAF-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50627884; PubChem:CID172456221
|
Local ready
Direct docking supported
|
|
E3L064055
BDB064055
|
BDBM50627885
N#CSc1cc(O)c2nc(N)sc2c1
|
C8H5N3OS2 223.282000 |
SYJJJKLCCXFULV-UHFFFAOYSA-N | Q96L73 | Histone-lysine N-methyltransferase, H3 lysine-36 specific |
BindingDB, PubChem
BindingDB:BDBM50627885; PubChem:CID138721391
|
Local ready
Direct docking supported
|
|
E3L064056
BDB064056
|
BDBM50627886
Nc1ncnc2c1ncn2Cc1cc(-c2ccc(F)c(F)c2)ncc1N1CCC[C@](N)(COC2CC2)C1
|
C26H28F2N8O 506.561000 |
NKBVGYWANONFTE-AREMUKBSSA-N | Q96L73, Q9BZ95 | Histone-lysine N-methyltransferase NSD3, Histone-lysine N-methyltransferase, H3 lysine-36 specific |
BindingDB, PubChem
BindingDB:BDBM50627886; PubChem:CID156069786
|
Local ready
Direct docking supported
|
|
E3L064057
BDB064057
|
BDBM50627887
O=C1c2c(O)ccc(O)c2C(=O)C2C(NCCNCCO)=CC=C(NCCNCCO)C12
|
C22H30N4O6 446.504000 |
BIVQCGYKQAFKHN-UHFFFAOYSA-N | Q96L73 | Histone-lysine N-methyltransferase, H3 lysine-36 specific |
BindingDB, PubChem
BindingDB:BDBM50627887; PubChem:CID497654
|
Local ready
Direct docking supported
|
|
E3L064058
BDB064058
|
BDBM50627888
Cc1cc(CNCCCC(=O)NCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)cc(C)c1-c1ncn(C)c1-c1ccnc2cc(F)ccc12
|
C58H74FN9O5S 1028.353000 |
RWXCSOWWDBANDF-LPFSXYLXSA-N | Q9BZ95 | Histone-lysine N-methyltransferase NSD3 |
BindingDB
BindingDB:BDBM50627888
|
Local ready
Direct docking supported
|
|
E3L064059
BDB064059
|
BDBM50627889
N=C(N)NCCC[C@H](N)C(=O)NCCCCCCNC(=O)c1ccc(NC(=O)c2ccc(CN(C(=O)c3ccc4c(c3)OCC(=O)N4)C3CC3)cc2)cc1
|
C39H49N9O6 739.878000 |
XRTKGOLGVZDDJM-HKBQPEDESA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB
BindingDB:BDBM50627889
|
Local ready
Direct docking supported
|
|
E3L064060
BDB064060
|
BDBM50627890
NCCCCCCNC(=O)c1ccc(NC(=O)c2ccc(CN(C(=O)c3ccc4c(c3)OCC(=O)N4)C3CC3)cc2)cc1
|
C33H37N5O5 583.689000 |
MDIKJIFCQAJLPD-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50627890; PubChem:CID168893163
|
Local ready
Direct docking supported
|