| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050901
BDB050901
|
BDBM50281241
CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCc1cnc[nH]1
|
C21H38N4O5S 458.625000 |
CWQIVKZLBLXURD-QKNQBKEWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50281241; PubChem:CID44325481
|
Local ready
Direct docking supported
|
|
E3L050902
BDB050902
|
BDBM50281242
CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NS(=O)(=O)CCc1ccccc1
|
C29H47N5O7S2 641.857000 |
HMLCCPLOZFQABP-LAJGZZDBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50281242; PubChem:CID44325450
|
Local ready
Direct docking supported
|
|
E3L050903
BDB050903
|
BDBM50281243
CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](O)CC(C)C
|
C21H42N2O6S 450.642000 |
ATHDBXJUSVTRLQ-LWYYNNOASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50281243; PubChem:CID44325307
|
Local ready
Direct docking supported
|
|
E3L050904
BDB050904
|
BDBM50281244
CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](N)Cc1cnc[nH]1
|
C21H39N5O5S 473.640000 |
LJZAXPWIVQIDQZ-LWYYNNOASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50281244; PubChem:CID44325466
|
Local ready
Direct docking supported
|
|
E3L050905
BDB050905
|
BDBM50281636
CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)C)C(=O)NCc1ccccn1
|
C41H57N7O6 743.950000 |
ACLGFPBLVWSDHZ-KZMCYEEOSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50281636
|
Local ready
Direct docking supported
|
|
E3L050906
BDB050906
|
BDBM50281638
CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)NCc1ccccn1
|
C45H61N7O6 796.026000 |
VIIORGGCTLITHW-BPKZVAPOSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50281638
|
Local ready
Direct docking supported
|
|
E3L050907
BDB050907
|
BDBM50281642
CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1
|
C32H54N4O5 574.807000 |
SHXBHHDCBHQKLF-ISYMSECWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50281642; PubChem:CID454914
|
Local ready
Direct docking supported
|
|
E3L050908
BDB050908
|
BDBM50282114
CC(C)C[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
|
C74H121N24O20+ 1666.930000 |
LZHAAGDVOJKNJU-QZPDNNCWSA-O | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50282114; PubChem:CID145956390
|
Local ready
Direct docking supported
|
|
E3L050909
BDB050909
|
BDBM50282115
C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=S)Nc1ccc(C2=C3C=CC(O)=CC3Oc3cc(O)ccc32)c(C(=O)O)c1)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)O
|
C87H137N26O26S+ 1995.276000 |
HDUFEAROPVQRMB-WITLFUPKSA-O | P29375, Q03164 | Lysine-specific demethylase 5A, Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM50282115
|
Local ready
Direct docking supported
|
|
E3L050910
BDB050910
|
BDBM50282157
CC(C)N(C)CCCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1
|
C33H53N5O3 567.819000 |
HPURZZOPLJWEKA-IIZANFQQSA-N | O75530 | Polycomb protein EED |
BindingDB
BindingDB:BDBM50282157
|
Local ready
Direct docking supported
|
|
E3L050911
BDB050911
|
BDBM50282158
O=C(Nc1cc2c(O)c(c1)Cc1cc(S(=O)(=O)O)cc(c1O)Cc1cc(S(=O)(=O)O)cc(c1O)Cc1cc(S(=O)(=O)O)cc(c1O)C2)c1ccccc1
|
C35H29NO14S3 783.811000 |
IQLQXLWUDUABAJ-UHFFFAOYSA-N | Q9H160 | Inhibitor of growth protein 2 |
BindingDB
BindingDB:BDBM50282158
|
Local ready
Direct docking supported
|
|
E3L050912
BDB050912
|
H-Pro-Ser-Lys(Me3)-Phe-Leu-NH2
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(N)=O
|
C32H54N7O6+ 632.827000 |
ZZEFIZCWHLCWRV-IRGGMKSGSA-O | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50282161; PubChem:CID123132930
|
Local ready
Direct docking supported
|
|
E3L050913
BDB050913
|
BDBM50282162
C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=S)Nc1ccc(C2=C3C=CC(O)=CC3Oc3cc(O)ccc32)c(C(=O)O)c1)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)O
|
C86H134N26O26S 1980.241000 |
SYPCDSAZIPUYCF-CYORGSIPSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50282162
|
Local ready
Direct docking supported
|
|
E3L050914
BDB050914
|
BDBM50282163
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN(C)C(C)C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1)C(N)=O
|
C34H56N6O4 612.860000 |
QCOPPCLMRKMEKM-WPMUBMLPSA-N | O75530 | Polycomb protein EED |
BindingDB
BindingDB:BDBM50282163
|
Local ready
Direct docking supported
|
|
E3L050915
BDB050915
|
H-Gln-Arg-Lys(Me3)-Phe-Ala-OMe
COC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(N)=O
|
C33H57N10O7+ 705.882000 |
AETJYYFBSYAFDG-GKKOWRRISA-O | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50282164; PubChem:CID145960068
|
Local ready
Direct docking supported
|
|
E3L050916
BDB050916
|
cHexCO-Ser-Lys(Me3)-Phe-Ala-NH2
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CO)NC(=O)C1CCCCC1)C(N)=O
|
C31H51N6O6+ 603.785000 |
WNDKNHLLDDUGBW-PZYJALBSSA-O | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50282165; PubChem:CID145955728
|
Local ready
Direct docking supported
|
|
E3L050917
BDB050917
|
BDBM50282166
O=C(O)c1ccc(S(=O)(=O)Nc2cc3c(O)c(c2)Cc2cc(S(=O)(=O)O)cc(c2O)Cc2cc(S(=O)(=O)O)cc(c2O)Cc2cc(S(=O)(=O)O)cc(c2O)C3)cc1
|
C35H29NO17S4 863.875000 |
JSZMPNBCMSNMSV-UHFFFAOYSA-N | Q9H160 | Inhibitor of growth protein 2 |
BindingDB
BindingDB:BDBM50282166
|
Local ready
Direct docking supported
|
|
E3L050918
BDB050918
|
BDBM50282167
O=S(=O)(O)c1cc2c(O)c(c1)Cc1cc(S(=O)(=O)O)cc(c1O)Cc1cc(S(=O)(=O)O)cc(c1O)Cc1cc(S(=O)(=O)O)cc(c1O)C2
|
C28H24O16S4 744.752000 |
JFYBCAFLVNKHHG-UHFFFAOYSA-N | Q9H160 | Inhibitor of growth protein 2 |
BindingDB, PubChem
BindingDB:BDBM50282167; PubChem:CID644084
|
Local ready
Direct docking supported
|
|
E3L050919
BDB050919
|
BDBM50282478
CCCCc1nc2c(C)cc(C)nc2n1C1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C28H29N7 463.589000 |
HBYVOFWUGXPDMO-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50282478; PubChem:CID19008935
|
Local ready
Direct docking supported
|
|
E3L050920
BDB050920
|
BDBM50282484
CCc1nc2c(C)cc(C)nc2n1C1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C26H25N7 435.535000 |
PACFDFGGIPMOKL-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50282484; PubChem:CID19008901
|
Local ready
Direct docking supported
|