| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051021
BDB051021
|
BDBM50286818
CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)NCCCC(=O)O
|
C32H48N6O8 644.770000 |
VWSGPQWRZILIOD-CQJMVLFOSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50286818
|
Local ready
Direct docking supported
|
|
E3L051022
BDB051022
|
BDBM50287047
CCN(c1cc2occc2c(C(=O)NCc2ccc(C)[nH]c2=O)c1Cl)C1CCOCC1
|
C23H26ClN3O4 443.931000 |
JGODQNHXSXGZBZ-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50287047; PubChem:CID145972911
|
Local ready
Direct docking supported
|
|
E3L051023
BDB051023
|
Ebi-2511
CCc1c(N(CC)C2CCOCC2)cc2oc(C3CCN(C(C)C)CC3)cc2c1C(=O)NCc1c(C)cc(C)[nH]c1=O
|
C34H48N4O4 576.782000 |
NYWVSLBALKNFJR-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50287048; PubChem:CID133081962
|
Local ready
Direct docking supported
|
|
E3L051024
BDB051024
|
BDBM50287049
CCc1c(N(CC)C2CCOCC2)cc2occc2c1C(=O)NCc1c(OC)cc(C)[nH]c1=O
|
C26H33N3O5 467.566000 |
JYHWESDDXSBHEO-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50287049; PubChem:CID145957246
|
Local ready
Direct docking supported
|
|
E3L051025
BDB051025
|
BDBM50287050
CCN(c1cc2oc(Cl)cc2c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C25H30ClN3O5 487.984000 |
HIIQVPLDPORYGF-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50287050; PubChem:CID145957459
|
Local ready
Direct docking supported
|
|
E3L051026
BDB051026
|
BDBM50287051
CCc1c(N(CC)C2CCOCC2)cc2oc(CN3CCOCC3)cc2c1C(=O)NCc1c(C)cc(C)[nH]c1=O
|
C31H42N4O5 550.700000 |
FNIHSLYQEQZRHH-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50287051; PubChem:CID145953263
|
Local ready
Direct docking supported
|
|
E3L051027
BDB051027
|
BDBM50287052
CCN(c1cc2oc(C3CC3)cc2c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C28H35N3O5 493.604000 |
RDTWWOGVLSHQRK-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50287052; PubChem:CID145956125
|
Local ready
Direct docking supported
|
|
E3L051028
BDB051028
|
BDBM50287053
CCc1c(N(CC)C2CCOCC2)cc2oc(CN3CCCCC3)cc2c1C(=O)NCc1c(OC)cc(C)[nH]c1=O
|
C32H44N4O5 564.727000 |
QPPMMEVJOAYDNF-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50287053; PubChem:CID135332289
|
Local ready
Direct docking supported
|
|
E3L051029
BDB051029
|
BDBM50287054
CCN(c1cc2occc2c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C25H31N3O4 437.540000 |
YIDPRJWWYAEHJU-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50287054; PubChem:CID145951666
|
Local ready
Direct docking supported
|
|
E3L051030
BDB051030
|
BDBM50287055
CCN(c1cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c2ccoc2c1)C1CCOCC1
|
C24H29N3O5 439.512000 |
QKTOFXPWVLQIMX-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50287055; PubChem:CID145949911
|
Local ready
Direct docking supported
|
|
E3L051031
BDB051031
|
BDBM50287056
CCN(c1cc2occ(C)c2c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C26H33N3O5 467.566000 |
ZTOAAMOSOKIAKY-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50287056; PubChem:CID135332326
|
Local ready
Direct docking supported
|
|
E3L051032
BDB051032
|
BDBM50287057
CCN(c1cc2occc2c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C(F)(F)F)C1CCOCC1
|
C25H28F3N3O5 507.509000 |
RVZZZYBBWDTHOO-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50287057; PubChem:CID135332254
|
Local ready
Direct docking supported
|
|
E3L051033
BDB051033
|
BDBM50287058
CCN(c1cc2oc(F)cc2c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C25H30FN3O5 471.529000 |
NRJPQJZSRYUTIL-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50287058; PubChem:CID140943064
|
Local ready
Direct docking supported
|
|
E3L051034
BDB051034
|
BDBM50287068
CCN(c1cc2oc(C#N)cc2c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C26H30N4O5 478.549000 |
GWWPLMJVLCHYQG-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50287068; PubChem:CID135332314
|
Local ready
Direct docking supported
|
|
E3L051035
BDB051035
|
BDBM50287071
CCN(c1cc2oc(C(F)(F)F)cc2c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C26H30F3N3O5 521.536000 |
LECDCPFYHWKXQN-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50287071; PubChem:CID135332272
|
Local ready
Direct docking supported
|
|
E3L051036
BDB051036
|
BDBM50287072
CCc1c(N(CC)C2CCOCC2)cc2oc(CN3CCN(C)CC3)cc2c1C(=O)NCc1c(OC)cc(C)[nH]c1=O
|
C32H45N5O5 579.742000 |
YFLOKCLJSQKUIO-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50287072; PubChem:CID135332315
|
Local ready
Direct docking supported
|
|
E3L051037
BDB051037
|
BDBM50287119
CCc1c(N(CC)C2CCOCC2)cc2oc(C3CCN(C)CC3)cc2c1C(=O)NCc1c(C)cc(C)[nH]c1=O
|
C32H44N4O4 548.728000 |
RNOUJORPHZOBFA-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50287119; PubChem:CID145954657
|
Local ready
Direct docking supported
|
|
E3L051038
BDB051038
|
BDBM50287125
CCN(c1cc2oc(C)cc2c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C26H33N3O5 467.566000 |
OGEGKWSUMBNLJE-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50287125; PubChem:CID135332286
|
Local ready
Direct docking supported
|
|
E3L051039
BDB051039
|
BDBM50287276
CCN(c1cc2occc2c(C(=O)NCc2c(C(F)(F)F)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C25H28F3N3O4 491.510000 |
JFONWYWBVOYASL-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50287276; PubChem:CID145962295
|
Local ready
Direct docking supported
|
|
E3L051040
BDB051040
|
BDBM50287277
CCN(c1cc2occc2c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C25H31N3O5 453.539000 |
IBJQZJITWHHCOE-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50287277; PubChem:CID135332273
|
Local ready
Direct docking supported
|