| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046861
BDB046861
|
BDBM50151586
CNNCCCC(NC(=O)C(CO)NC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O)C(C)C
|
C102H173N37O29 2381.736000 |
MMIAIVDYGLHKLA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50151586
|
Local ready
Direct docking supported
|
|
E3L046862
BDB046862
|
BDBM50151587
CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O)C(C)C
|
C101H171N37O29 2367.709000 |
UMJLSAUNCMLHID-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50151587
|
Local ready
Direct docking supported
|
|
E3L046863
BDB046863
|
BDBM50151650
CNC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(NC(=O)CNC(=O)CNC(=O)NC(CCCCNC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)O)C(C)O)C(C)O)C(C)O
|
C116H205N42O45P3S 3033.154000 |
XNERBKYJGCJFIG-UHFFFAOYSA-N | Q09472, Q92831 | Histone acetyltransferase p300, Histone acetyltransferase KAT2B |
BindingDB
BindingDB:BDBM50151650
|
Local ready
Direct docking supported
|
|
E3L046864
BDB046864
|
BDBM50151651
CC(C)(C)OC(=O)NCCCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
|
C33H58N9O19P3S 1009.860000 |
XQXLJFXFNXYRML-HSJNEKGZSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50151651
|
Local ready
Direct docking supported
|
|
E3L046865
BDB046865
|
Ctpb
CCCCCCCCCCCCCCCc1cccc(OCC)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
|
C31H43ClF3NO2 554.137000 |
OYBMVMAXKOGYDC-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50151652; PubChem:CID10311918
|
Local ready
Direct docking supported
|
|
E3L046866
BDB046866
|
BDBM50151653
[C][C]([C])/[C]=[C]\[C@@H]1[C][C@@]2([C][C@H](/[C]=[C]/[C]([C])[C])C([C])=[C])C(=O)[C@]([C][C]=C([C])[C])(C(=O)C(C(=O)c3ccc([O])c([O])c3)=C2[O])C1([C])[C]
|
C38H5O6 557.452000 |
DOANGWFJSCDBBT-SMDXAGPFSA-N | Q09472, Q92831 | Histone acetyltransferase KAT2B, Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50151653
|
Local ready
Direct docking supported
|
|
E3L046867
BDB046867
|
BDBM50151654
[C]Oc1ccc(C(=O)C2=C3OC([C])([C])[C@@H]([C][C]=C([C])[C])[C][C@@]34[C][C@@H](/[C]=[C]\[C]([C])[C])C([C])([C])[C@@]([C][C]=C([C])[C])(C2=O)C4=O)cc1[O]
|
C39H5O6 569.463000 |
JEHHEVQGKPPSDV-OAKZDBKWSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50151654
|
Local ready
Direct docking supported
|
|
E3L046868
BDB046868
|
BDBM50151655
N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(OCC[C@H](NC(=O)C[C@](O)(CC(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)O)C(=O)O)c2)NC1=O
|
C29H37N7O15 723.649000 |
CVSHHZDMYAPZPV-DFYJTYCZSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50151655
|
Local ready
Direct docking supported
|
|
E3L046869
BDB046869
|
BDBM50151656
N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(OCC[C@H](NC(=O)C[C@](O)(CC(=O)O)C(=O)O)C(=O)O)c2)NC1=O
|
C25H32N6O12 608.561000 |
GRAFKVRBLJRCBH-NCBISDQCSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50151656
|
Local ready
Direct docking supported
|
|
E3L046870
BDB046870
|
BDBM50151657
C=C1C(=O)O[C@@H](C(=O)O)[C@@H]1CCC
|
C9H12O4 184.191000 |
UMIRDYGSSPYJKQ-RNFRBKRXSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50151657; PubChem:CID127032947
|
Local ready
Direct docking supported
|
|
E3L046871
BDB046871
|
BDBM50151658
[C]Oc1ccc(S(=O)(=O)ON=C2[C]=C([C])C(=O)C([C])=[C]2)cc1
|
C15H4NO5S 310.266000 |
BHANKLSTBDYUTB-UHFFFAOYSA-N | Q09472, Q92831 | Histone acetyltransferase p300, Histone acetyltransferase KAT2B |
BindingDB
BindingDB:BDBM50151658
|
Local ready
Direct docking supported
|
|
E3L046872
BDB046872
|
BDBM50151659
COc1ccc(C2CC(c3cccs3)=NN2c2nc(-c3ccc(N4C(=O)c5ccccc5C4=O)cc3)cs2)cc1OC
|
C32H24N4O4S2 592.702000 |
UOEGYWWWSHVNGP-UHFFFAOYSA-N | Q09472, Q92831 | Histone acetyltransferase KAT2B, Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50151659; PubChem:CID2854538
|
Local ready
Direct docking supported
|
|
E3L046873
BDB046873
|
1,2-Bis(isothiazol-5-yl)disulfane
c1cc(SSc2ccns2)sn1
|
C6H4N2S4 232.380000 |
MLRAMCAHIWHWRM-UHFFFAOYSA-N | Q09472, Q92831 | Histone acetyltransferase p300, Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50151660; PubChem:CID72201043
|
Local ready
Direct docking supported
|
|
E3L046874
BDB046874
|
BDBM50151661
COc1ccc2c(c1)N(CCCNC(=O)c1cccc3c1N[C@H](C)C(=O)N3)CCC2
|
C23H28N4O3 408.502000 |
FBGWKDHQIRVFSD-OAHLLOKOSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50151661; PubChem:CID102358573
|
Local ready
Direct docking supported
|
|
E3L046875
BDB046875
|
BDBM50151662
Cc1noc(C)c1-c1ccc2c(c1)nc(CCc1ccccc1)n2C[C@H](C)N1CCOCC1
|
C27H32N4O2 444.579000 |
SAMCWHOXZPKYQG-IBGZPJMESA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50151662; PubChem:CID127031779
|
Local ready
Direct docking supported
|
|
E3L046876
BDB046876
|
I-Cbp112
CCC(=O)N1CCOc2c(cc(-c3ccc(OC)c(OC)c3)cc2OC[C@H]2CCCN(C)C2)C1
|
C27H36N2O5 468.594000 |
YKNAKDFZAWQEEO-IBGZPJMESA-N | Q09472, Q92793 | CREB-binding protein, Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50151663; PubChem:CID90488984
|
Local ready
Direct docking supported
|
|
E3L046877
BDB046877
|
BDBM50151917
O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(C(F)(F)F)c5)CC4)cn3)nccc12
|
C24H23F3N6O 468.483000 |
ZBLHURFMYIWFIY-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50151917; PubChem:CID137175122
|
Local ready
Direct docking supported
|
|
E3L046878
BDB046878
|
BDBM50151919
O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccc(F)cc5F)CC4)cn3)nccc12
|
C23H22F2N6O 436.466000 |
XWSGXVMUELGWLQ-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50151919; PubChem:CID137175121
|
Local ready
Direct docking supported
|
|
E3L046879
BDB046879
|
BDBM50151921
O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cc(F)cc(F)c5)CC4)cn3)nccc12
|
C23H22F2N6O 436.466000 |
BUTZNIHTVCLMKG-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50151921; PubChem:CID137175120
|
Local ready
Direct docking supported
|
|
E3L046880
BDB046880
|
BDBM50151923
O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(Cl)c5)CC4)cn3)nccc12
|
C23H23ClN6O 434.931000 |
LDSDVQOOEYCWQS-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50151923; PubChem:CID137175094
|
Local ready
Direct docking supported
|