| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L034341
BDB034341
|
BDBM688172
CC(C)(C)c1ccc(-c2ccc3c(NCCCNCc4cccc5c4OCO5)ccnc3c2)cc1
|
C30H33N3O2 467.613000 |
WAQFSLDWUGTWBX-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688172; PubChem:CID56594486
|
Local ready
Direct docking supported
|
|
E3L034342
BDB034342
|
BDBM688173
COc1cccc(CNCCCNc2ccnc3cc(Oc4ccc(C(C)(C)C)cc4)ccc23)c1O
|
C30H35N3O3 485.628000 |
BXYAHDTWWYCEEF-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688173; PubChem:CID56595145
|
Local ready
Direct docking supported
|
|
E3L034343
BDB034343
|
BDBM688174
COc1ccc(F)cc1CNCCCNc1ccnc2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc12
|
C28H24F7N3O 551.506000 |
PWUOMUXSGIGTMZ-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688174; PubChem:CID56594621
|
Local ready
Direct docking supported
|
|
E3L034344
BDB034344
|
BDBM688175
CC(C)(C)c1ccc(Oc2ccc3c(NCCCNCc4cccc5c4OCO5)ccnc3c2)cc1
|
C30H33N3O3 483.612000 |
IMVCEYKKIVKYKT-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688175; PubChem:CID56593819
|
Local ready
Direct docking supported
|
|
E3L034345
BDB034345
|
BDBM688176
FC(F)(F)c1cc(-c2ccc3c(NCCCNCc4cccc5c4OCO5)ccnc3c2)cc(C(F)(F)F)c1
|
C28H23F6N3O2 547.499000 |
DXYCPENFJZFBBY-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688176; PubChem:CID56594620
|
Local ready
Direct docking supported
|
|
E3L034346
BDB034346
|
BDBM688177
COc1ccc(F)cc1CNCCCNc1ccnc2cc(Cc3cc(C)cc(C)c3)ccc12
|
C29H32FN3O 457.593000 |
UBAHLMJZJUYZHI-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688177; PubChem:CID56593672
|
Local ready
Direct docking supported
|
|
E3L034347
BDB034347
|
BDBM688179
COc1cccc(CNCCCNc2ccnc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)c1O
|
C27H26F3N3O2 481.518000 |
SRTBXKHATICTAJ-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688179; PubChem:CID56594066
|
Local ready
Direct docking supported
|
|
E3L034348
BDB034348
|
BDBM688180
CCC(CC)c1ccc2c(NCCCNCc3cccc(OC)c3O)ccnc2c1
|
C25H33N3O2 407.558000 |
MEMUEUFGGARWDW-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688180; PubChem:CID56594070
|
Local ready
Direct docking supported
|
|
E3L034349
BDB034349
|
BDBM688181
COc1ccc(F)cc1CNCCCNc1ccnc2cc(-c3cccc4ccccc34)ccc12
|
C30H28FN3O 465.572000 |
JLFOPKUBFRDKQM-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688181; PubChem:CID56594870
|
Local ready
Direct docking supported
|
|
E3L034350
BDB034350
|
BDBM688182
Clc1cccc(Cl)c1Cc1ccc2c(NCCCNCc3cccc4c3OCO4)ccnc2c1
|
C27H25Cl2N3O2 494.422000 |
ZLXVNZGXVIOVIR-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688182; PubChem:CID162444671
|
Local ready
Direct docking supported
|
|
E3L034351
BDB034351
|
BDBM688183
COc1ccc(F)cc1CNCCCNc1ccnc2cc(Cc3c(Cl)cccc3Cl)ccc12
|
C27H26Cl2FN3O 498.429000 |
WHSZJBKWLXDLBF-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688183; PubChem:CID162444614
|
Local ready
Direct docking supported
|
|
E3L034352
BDB034352
|
BDBM688184
FC(F)(F)c1cccc(Cc2ccc3c(NCCCNCc4cccc5c4OCO5)ccnc3c2)c1
|
C28H26F3N3O2 493.529000 |
UZTMKKOELGJKOO-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688184; PubChem:CID56593821
|
Local ready
Direct docking supported
|
|
E3L034353
BDB034353
|
BDBM688186
COc1cccc(CNCCCNc2ccnc3cc(Cc4c(Cl)cccc4Cl)ccc23)c1O
|
C27H27Cl2N3O2 496.438000 |
MZCSWZAKRVCBSF-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688186; PubChem:CID162444675
|
Local ready
Direct docking supported
|
|
E3L034354
BDB034354
|
BDBM688188
COc1cccc(CNCCCNc2ccnc3cc(C4=CC=CC5=CC=CC=CC54)ccc23)c1O
|
C31H31N3O2 477.608000 |
FTOSDISQCVPRKB-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688188; PubChem:CID172430009
|
Local ready
Direct docking supported
|
|
E3L034355
BDB034355
|
BDBM688189
c1cc(CNCCCNc2ccnc3cc(CC4CCCC4)ccc23)c2c(c1)OCO2
|
C26H31N3O2 417.553000 |
HLGBEDQWENHZFL-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688189; PubChem:CID172057176
|
Local ready
Direct docking supported
|
|
E3L034356
BDB034356
|
BDBM688190
Cc1cc(C)cc(Cc2ccc3c(NCCCNCc4cccc5c4OCO5)ccnc3c2)c1
|
C29H31N3O2 453.586000 |
SORIFBPOZKJWMH-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688190; PubChem:CID56593828
|
Local ready
Direct docking supported
|
|
E3L034357
BDB034357
|
BDBM688191
COc1cccc(CNCCCNc2ccnc3cc(Cc4ccc(F)cc4Cl)ccc23)c1O
|
C27H27ClFN3O2 479.983000 |
MCMFWOLPRLFLHE-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688191; PubChem:CID56594873
|
Local ready
Direct docking supported
|
|
E3L034358
BDB034358
|
BDBM688192
COc1ccc(F)cc1CNCCCNc1ccnc2cc(Cc3ccc(F)cc3Cl)ccc12
|
C27H26ClF2N3O 481.974000 |
URQKXVOHDIDJHB-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688192; PubChem:CID56593940
|
Local ready
Direct docking supported
|
|
E3L034359
BDB034359
|
BDBM688193
Clc1ccc(Oc2ccc3c(NCCCNCc4cccc5c4OCO5)ccnc3c2)cc1
|
C26H24ClN3O3 461.949000 |
CUPGXKPCYMZIJI-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688193; PubChem:CID56595281
|
Local ready
Direct docking supported
|
|
E3L034360
BDB034360
|
BDBM688194
COc1ccc(F)cc1CNCCCNc1ccnc2cc(Cc3ccccc3)ccc12
|
C27H28FN3O 429.539000 |
UGATVPMGTJUDBT-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688194; PubChem:CID56594872
|
Local ready
Direct docking supported
|