| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L015821
BDB015821
|
BDBM347296
COc1cccc(CC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CCC(=O)NCCc2ccccc2)C(C)C)c1
|
C34H43N3O5 573.734000 |
SSVHKSJVFDLEGD-NGCAANIMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM347296; PubChem:CID86582645
|
Local ready
Direct docking supported
|
|
E3L015822
BDB015822
|
BDBM347297
COc1ccccc1CC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NCCc1ccccc1)C(C)C
|
C34H43N3O5 573.734000 |
OTJVCIXYIJVLOS-DWDWHFOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM347297; PubChem:CID86582646
|
Local ready
Direct docking supported
|
|
E3L015823
BDB015823
|
BDBM347298
Cc1ccc(OCC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CCC(=O)NCCc2ccccc2)C(C)C)cc1C
|
C35H45N3O5 587.761000 |
RWAJQZZUQOXACF-JHFJJOSTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM347298; PubChem:CID86582647
|
Local ready
Direct docking supported
|
|
E3L015824
BDB015824
|
BDBM347299
CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NCCc1ccccc1
|
C37H43N3O4 593.768000 |
AOIMGKNSXZXVSI-UEMWQVMZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM347299; PubChem:CID86582795
|
Local ready
Direct docking supported
|
|
E3L015825
BDB015825
|
BDBM347300
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NCCc1ccccc1
|
C39H45N3O4 619.806000 |
KSLRWHPHZWYGRK-YSJNHPSYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM347300; PubChem:CID86582796
|
Local ready
Direct docking supported
|
|
E3L015826
BDB015826
|
BDBM347301
Cc1cccc(C)c1NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1cccc(Oc2ccccc2)c1)C(C)C
|
C39H45N3O5 635.805000 |
WRPDUUMEILLOKT-YSJNHPSYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM347301; PubChem:CID86582797
|
Local ready
Direct docking supported
|
|
E3L015827
BDB015827
|
BDBM347302
CC(C)[C@H](NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NCc1ccccc1
|
C38H43N3O5 621.778000 |
WOXQMGDEMGZFEK-YSJNHPSYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM347302; PubChem:CID86580527
|
Local ready
Direct docking supported
|
|
E3L015828
BDB015828
|
BDBM347303
CC(C)[C@H](NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)N1CCc2ccccc21
|
C39H43N3O5 633.789000 |
XTHGKKUJTGJYJV-CGJJMRMRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM347303; PubChem:CID86580528
|
Local ready
Direct docking supported
|
|
E3L015829
BDB015829
|
BDBM347304
COC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(C)C
|
C43H65N5O8 780.020000 |
BLUZWSPJBVXNHQ-JKXGKYMWSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM347304
|
Local ready
Direct docking supported
|
|
E3L015830
BDB015830
|
BDBM347306
CCOc1cccc(CC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CCC(=O)NCCc2ccccc2)C(C)C)c1
|
C35H45N3O5 587.761000 |
XODWFBHLGAJLRT-JHFJJOSTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM347306; PubChem:CID86580686
|
Local ready
Direct docking supported
|
|
E3L015831
BDB015831
|
BDBM347307
CC(C)[C@H](NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NCCc1ccccc1
|
C35H45N3O4 571.762000 |
XJNQLUUIANGTHP-JHFJJOSTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM347307; PubChem:CID86580687
|
Local ready
Direct docking supported
|
|
E3L015832
BDB015832
|
BDBM347308
CC[C@H](C)[C@H](NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(=O)N[C@H](C(=O)O)C(C)C
|
C39H65N5O8 731.976000 |
ADHRAERNMUTXAT-DRNRNLRISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM347308
|
Local ready
Direct docking supported
|
|
E3L015833
BDB015833
|
BDBM347309
CC[C@H](C)[C@H](NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)C(C)C)C(=O)N[C@H](C(=O)O)C(C)C
|
C37H51F3N4O8 736.829000 |
BYSOANGIHYKHGN-GJBWMSEYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM347309
|
Local ready
Direct docking supported
|
|
E3L015834
BDB015834
|
BDBM347682
CCN(c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCC(N(C)C)CC1
|
C24H36N4O2S 444.645000 |
XHROKJJCFRMCBT-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM347682; PubChem:CID86298749
|
Local ready
Direct docking supported
|
|
E3L015835
BDB015835
|
BDBM347696
Cc1cc(C)c(CNC(=O)c2csc(C(O)C3CCN(C(=O)OC(C)(C)C)CC3)c2C)c(=O)[nH]1
|
C25H35N3O5S 489.638000 |
UVKAXCAVTAJIHC-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM347696; PubChem:CID86763366
|
Local ready
Direct docking supported
|
|
E3L015836
BDB015836
|
BDBM347746
C/C=C(/CCN1CCOCC1)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
|
C23H31N3O3S 429.586000 |
RQHHTQQZIPZYKU-DVZOWYKESA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM347746; PubChem:CID86764259
|
Local ready
Direct docking supported
|
|
E3L015837
BDB015837
|
BDBM347747
C/C=C(/CCCN1CCN(C)CC1)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
|
C25H36N4O2S 456.656000 |
XOWOAJJLCBDUKN-IOXNKQMXSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM347747; PubChem:CID86764260
|
Local ready
Direct docking supported
|
|
E3L015838
BDB015838
|
BDBM347749
C/C=C(/CCCN1CCC(N(C)C)CC1)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
|
C27H40N4O2S 484.710000 |
LZBICHWHSABGJQ-YXSASFKJSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM347749; PubChem:CID86764372
|
Local ready
Direct docking supported
|
|
E3L015839
BDB015839
|
BDBM347795
Cn1cc(-c2cccc(-c3ccc(-c4cnn(C5CCNCC5)c4)cn3)c2)cn1
|
C23H24N6 384.487000 |
GKZVYYXTCYAQFF-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347795; PubChem:CID121347786
|
Local ready
Direct docking supported
|
|
E3L015840
BDB015840
|
BDBM347796
Cn1cc(-c2cccc(-c3ccc(-c4cnn(C5CCNCC5)c4)cn3)n2)cn1
|
C22H23N7 385.475000 |
RGDBMDNMSAABFJ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347796; PubChem:CID121347782
|
Local ready
Direct docking supported
|