| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L034381
BDB034381
|
BDBM688217
c1ccc(Oc2ccc3c(NCCCNCc4cccc5c4OCO5)ccnc3c2)cc1
|
C26H25N3O3 427.504000 |
KYFMUQNCYYOUNH-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688217; PubChem:CID56595009
|
Local ready
Direct docking supported
|
|
E3L034382
BDB034382
|
BDBM688218
CC(C)(C)c1ccc(O)c(CNCCCNc2ccnc3cc(Cl)ccc23)c1
|
C23H28ClN3O 397.950000 |
JLPFSVJKUWOETE-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688218; PubChem:CID162444624
|
Local ready
Direct docking supported
|
|
E3L034383
BDB034383
|
BDBM688219
c1cc(CNCCCNc2ccnc3cc(-c4ccc5c(c4)OCO5)ccc23)c2c(c1)OCO2
|
C27H25N3O4 455.514000 |
QGAXSXIRUBAWRO-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688219; PubChem:CID56594068
|
Local ready
Direct docking supported
|
|
E3L034384
BDB034384
|
BDBM688220
c1cc(CNCCCNc2ccnc3cc(-c4cccc5ccccc45)ccc23)c2c(c1)OCO2
|
C30H27N3O2 461.565000 |
WJFLCGKQYATDAK-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688220; PubChem:CID56594487
|
Local ready
Direct docking supported
|
|
E3L034385
BDB034385
|
BDBM688221
COc1cc(Cc2ccc3c(NCCCNCc4cccc5c4OCO5)ccnc3c2)cc(OC)c1
|
C29H31N3O4 485.584000 |
WWSHPLYYRJKGLR-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688221; PubChem:CID162444629
|
Local ready
Direct docking supported
|
|
E3L034386
BDB034386
|
BDBM688222
COc1cccc(CNCCCNc2ccnc3cc(C4CCCCC4)ccc23)c1O
|
C26H33N3O2 419.569000 |
LRXYIZSBKPCBKS-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688222; PubChem:CID56595014
|
Local ready
Direct docking supported
|
|
E3L034387
BDB034387
|
BDBM688223
COc1cccc(CNCCCNc2ccnc3cc(-c4ccc(F)cc4)ccc23)c1O
|
C26H26FN3O2 431.511000 |
ANJIYYDEQTYWCU-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688223; PubChem:CID56594622
|
Local ready
Direct docking supported
|
|
E3L034388
BDB034388
|
BDBM688224
COc1cc(Cc2ccc3c(NCCCNCc4cccc(OC)c4O)ccnc3c2)cc(OC)c1
|
C29H33N3O4 487.600000 |
OBGOITWAGPHFQA-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688224; PubChem:CID162444628
|
Local ready
Direct docking supported
|
|
E3L034389
BDB034389
|
BDBM688225
COc1cc(Cc2ccc3c(NCCCNCc4cc(F)ccc4OC)ccnc3c2)cc(OC)c1
|
C29H32FN3O3 489.591000 |
HEHXIXDFPNMROB-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688225; PubChem:CID162444639
|
Local ready
Direct docking supported
|
|
E3L034390
BDB034390
|
BDBM688226
Clc1ccc2c(NCCCNCc3ccc(-c4ccccc4)cc3)ccnc2c1
|
C25H24ClN3 401.941000 |
QNNZCBXEPZUNGW-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688226; PubChem:CID162444623
|
Local ready
Direct docking supported
|
|
E3L034391
BDB034391
|
BDBM688227
COc1ccc(F)cc1CNCCCNc1ccnc2cc(Cc3ccc(F)cc3)ccc12
|
C27H27F2N3O 447.529000 |
FGLZLJNROVPEIY-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688227; PubChem:CID56593651
|
Local ready
Direct docking supported
|
|
E3L034392
BDB034392
|
BDBM688228
COc1cccc(Oc2ccc3c(NCCCNCc4cc(F)ccc4OC)ccnc3c2)c1
|
C27H28FN3O3 461.537000 |
VZAORDHRWQXOKK-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688228; PubChem:CID56595146
|
Local ready
Direct docking supported
|
|
E3L034393
BDB034393
|
BDBM688229
COc1cccc(Oc2ccc3c(NCCCNCc4cccc5c4OCO5)ccnc3c2)c1
|
C27H27N3O4 457.530000 |
GSDMHMOQZGZQID-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688229; PubChem:CID56593656
|
Local ready
Direct docking supported
|
|
E3L034394
BDB034394
|
BDBM688230
COC1CCCC(F)CC1CNCCCNc1ccnc2cc(CCc3ccccc3)ccc12
|
C29H38FN3O 463.641000 |
ZSLCGZZDWFOSKT-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688230; PubChem:CID172430010
|
Local ready
Direct docking supported
|
|
E3L034395
BDB034395
|
BDBM688231
COc1ccc(F)cc1CNCCCNc1ccnc2cc(-c3ccc(F)cc3)ccc12
|
C26H25F2N3O 433.502000 |
MVOJNWQHXCNMBO-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688231; PubChem:CID56594357
|
Local ready
Direct docking supported
|
|
E3L034396
BDB034396
|
BDBM688232
CCc1ccc(CNCCCNc2ccnc3cc(C(F)(F)F)ccc23)cc1
|
C22H24F3N3 387.449000 |
RFRNCECKWMMRMW-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688232; PubChem:CID162444664
|
Local ready
Direct docking supported
|
|
E3L034397
BDB034397
|
BDBM688233
Fc1ccc(Cc2ccc3c(NCCCNCc4cccc5c4OCO5)ccnc3c2)cc1
|
C27H26FN3O2 443.522000 |
FIGKRKUNRXCIPZ-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688233; PubChem:CID56593807
|
Local ready
Direct docking supported
|
|
E3L034398
BDB034398
|
BDBM688234
CCC(CC)c1ccc2c(NCCCNCc3cc(F)ccc3OC)ccnc2c1
|
C25H32FN3O 409.549000 |
FHWJMQNNVXSVKX-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688234; PubChem:CID56594072
|
Local ready
Direct docking supported
|
|
E3L034399
BDB034399
|
BDBM688235
COc1cccc(CNCCCNc2ccnc3cc(Cc4ccc(F)cc4)ccc23)c1O
|
C27H28FN3O2 445.538000 |
RREJWKQUZYYVES-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688235; PubChem:CID56594875
|
Local ready
Direct docking supported
|
|
E3L034400
BDB034400
|
BDBM688236
COc1ccc(Oc2ccc3c(NCCCNCc4cccc5c4OCO5)ccnc3c2)cc1
|
C27H27N3O4 457.530000 |
PWXQGUNUXKRBHD-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688236; PubChem:CID56593813
|
Local ready
Direct docking supported
|