| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043001
BDB043001
|
BDBM787804
CCN(C(=O)c1cc(F)ccc1Oc1nnc(NC)nc1N1CCC2(C1)CN([C@H](CCCN(C)CCOC)C(C)C)C2)C(C)C
|
C33H53FN8O3 628.838000 |
QUUIXILWOPFSKP-HHHXNRCGSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM787804
|
Local ready
Direct docking supported
|
|
E3L043002
BDB043002
|
BDBM787805
CC(C)[C@@H](CCCN(C)C)N1CC2(CCN(c3ncnnc3Oc3ccc(F)cc3C(=O)N(C(C)C)C(C)C)C2)C1
|
C31H48FN7O2 569.770000 |
JMYCKYHWTOYVCO-AREMUKBSSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM787805; PubChem:CID156531767
|
Local ready
Direct docking supported
|
|
E3L043003
BDB043003
|
BDBM787807
CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CCC2(C1)CN([C@H](CCCNC)C(C)C)C2)C(C)C
|
C29H44FN7O2 541.716000 |
FNBOKVKCHUGFKA-XMMPIXPASA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM787807; PubChem:CID156531425
|
Local ready
Direct docking supported
|
|
E3L043004
BDB043004
|
BDBM787808
COCCCNCCC[C@H](C(C)C)N1CC2(CCN(C3=CN(Oc4ccc(F)cc4C(=O)N(C[13CH3])CC[13CH3])NC=N3)C2)C1
|
C32H52FN7O3 603.796710 |
KYEUOICMTWUEDN-SNTPHQNISA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM787808
|
Local ready
Direct docking supported
|
|
E3L043005
BDB043005
|
BDBM787809
CCN(C(=O)c1cc(F)ccc1OC1N=NC(Cl)=NC1N1CCC2(C1)CN([C@H](CCCN)C(C)C)C2)C(C)C
|
C28H43ClFN7O2 564.150000 |
CCNWGENWCZNTMO-PBGLPUTKSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM787809; PubChem:CID178185576
|
Local ready
Direct docking supported
|
|
E3L043006
BDB043006
|
BDBM787810
CCN(C(=O)c1cc(F)ccc1OC1N=NC(Cl)=NC1N1CCC2(C1)CN([C@@H](CCCN)C(C)C)C2)C(C)C
|
C28H43ClFN7O2 564.150000 |
CCNWGENWCZNTMO-BSSNWTCHSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM787810; PubChem:CID178185577
|
Local ready
Direct docking supported
|
|
E3L043007
BDB043007
|
BDBM787811
CCN(C(=O)c1cc(F)ccc1Oc1nnc(NC)nc1N1CCC2(C1)CN([C@H](CCCN)C(C)C)C2)C(C)C
|
C29H45FN8O2 556.731000 |
DAJLQVCCABYRBF-HSZRJFAPSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM787811; PubChem:CID156531468
|
Local ready
Direct docking supported
|
|
E3L043008
BDB043008
|
BDBM787812
CCN(C(=O)c1cc(F)ccc1Oc1nnc(OC)nc1N1CCC2(C1)CN([C@H](CCCN(C)C)C(C)C)C2)C(C)C
|
C31H48FN7O3 585.769000 |
OHWMEMHPARMTGX-RUZDIDTESA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM787812; PubChem:CID156531916
|
Local ready
Direct docking supported
|
|
E3L043009
BDB043009
|
BDBM787813
CCN(C(=O)c1cc(F)ccc1Oc1nnc(Cl)nc1N1CCC2(C1)CN([C@H](CCCN(C)C)C(C)C)C2)C(C)C
|
C30H45ClFN7O2 590.188000 |
YKPJNUXGWNBGGI-XMMPIXPASA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM787813; PubChem:CID156531622
|
Local ready
Direct docking supported
|
|
E3L043010
BDB043010
|
BDBM787814
CCN(C(=O)c1cc(F)ccc1Oc1nnc(C)nc1N1CCC2(C1)CN([C@H](CCCN)C(C)C)C2)C(C)C
|
C29H44FN7O2 541.716000 |
MFQGLPSAOPEVGN-XMMPIXPASA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM787814; PubChem:CID156531470
|
Local ready
Direct docking supported
|
|
E3L043011
BDB043011
|
BDBM787816
CCN(C(=O)c1cc(F)ccc1Oc1nnc(OC)nc1N1CCC2(C1)CN([C@H](CCCN(C)CCOC)C(C)C)C2)C(C)C
|
C33H52FN7O4 629.822000 |
XHFYIKGCOIKOLS-HHHXNRCGSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM787816
|
Local ready
Direct docking supported
|
|
E3L043012
BDB043012
|
BDBM788141
CC(C)c1cnn2c(NCc3ccccc3)cc(NCC3CCNC[C@@H]3O)nc12
|
C22H30N6O 394.523000 |
YCVGLKWJKIKVBI-NNBQYGFHSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM788141; PubChem:CID138498579
|
Local ready
Direct docking supported
|
|
E3L043013
BDB043013
|
BDBM788142
CC(C)c1cnn2c(NCc3ccncc3)cc(NCC3CCNC[C@@H]3O)nc12
|
C21H29N7O 395.511000 |
VTMQFTUFJZPBDS-DAFXYXGESA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM788142; PubChem:CID140916786
|
Local ready
Direct docking supported
|
|
E3L043014
BDB043014
|
BDBM788143
CC(C)c1cnn2c(NCc3csc4ccccc34)cc(NCC3CCNC[C@@H]3O)nc12
|
C24H30N6OS 450.612000 |
OMLGTGWUYGKYGI-FZCLLLDFSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM788143; PubChem:CID178185585
|
Local ready
Direct docking supported
|
|
E3L043015
BDB043015
|
BDBM788144
Cc1cccc2ncc(CNc3cc(NC[C@H]4CCNC[C@@H]4O)nc4c(C(C)C)cnn34)n12
|
C24H32N8O 448.575000 |
XIKREHXNLXFBJK-XLIONFOSSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM788144; PubChem:CID156499241
|
Local ready
Direct docking supported
|
|
E3L043016
BDB043016
|
BDBM788145
CC(C)c1cnn2c(NCc3cn4cccnc4n3)cc(NC[C@H]3CCNC[C@@H]3O)nc12
|
C22H29N9O 435.536000 |
ZJZXBNZGECSWQH-QAPCUYQASA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM788145; PubChem:CID156498900
|
Local ready
Direct docking supported
|
|
E3L043017
BDB043017
|
BDBM788146
CC(C)c1cnn2c(NCc3cn4ccccc4n3)cc(NC[C@H]3CCNC[C@@H]3O)nc12
|
C23H30N8O 434.548000 |
JWLYZTFPPDFIIV-APWZRJJASA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM788146; PubChem:CID156498879
|
Local ready
Direct docking supported
|
|
E3L043018
BDB043018
|
BDBM788147
Cc1cccn2cc(CNc3cc(NC[C@H]4CCNC[C@@H]4O)nc4c(C(C)C)cnn34)nc12
|
C24H32N8O 448.575000 |
JRUVGDRUEWKQQJ-XLIONFOSSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM788147; PubChem:CID156499201
|
Local ready
Direct docking supported
|
|
E3L043019
BDB043019
|
BDBM788148
CC(C)c1cnn2c(NCc3nc4ccccc4[nH]3)cc(NC[C@H]3CCNC[C@@H]3O)nc12
|
C23H30N8O 434.548000 |
GUOZBLKPTBMSRL-BEFAXECRSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM788148; PubChem:CID156499104
|
Local ready
Direct docking supported
|
|
E3L043020
BDB043020
|
BDBM788149
CC(C)c1cnn2c(NCc3ccc4c(c3)ncn4C)cc(NC[C@H]3CCNC[C@@H]3O)nc12
|
C24H32N8O 448.575000 |
ZGKYQMKZVWTMLU-UTKZUKDTSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM788149; PubChem:CID156499243
|
Local ready
Direct docking supported
|