| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L034301
BDB034301
|
BDBM688130
Cc1ccc(F)cc1CN(CCCCNc1ccnc2cc(Cl)ccc12)Cc1ccccc1
|
C28H29ClFN3 462.012000 |
XNCQEXQEZNBUFF-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688130; PubChem:CID172057048
|
Local ready
Direct docking supported
|
|
E3L034302
BDB034302
|
BDBM688131
FC(F)(F)Oc1ccc(CN(CCCCNc2ccnc3cc(Cl)ccc23)Cc2ccccc2)cc1
|
C28H27ClF3N3O 513.991000 |
PUXDHPRFTHAAIU-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688131; PubChem:CID172057198
|
Local ready
Direct docking supported
|
|
E3L034303
BDB034303
|
BDBM688132
FC(F)(F)Oc1cccc(CN(CCCCNc2ccnc3cc(Cl)ccc23)Cc2ccccc2)c1
|
C28H27ClF3N3O 513.991000 |
WALLIHWAHBZKBP-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688132; PubChem:CID172057068
|
Local ready
Direct docking supported
|
|
E3L034304
BDB034304
|
BDBM688133
CCCN(CCCNc1ccnc2cc(C(F)(F)F)ccc12)CCC(C)(C)C
|
C22H32F3N3 395.513000 |
VUYCDKHBCGWXAL-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688133; PubChem:CID172057086
|
Local ready
Direct docking supported
|
|
E3L034305
BDB034305
|
BDBM688134
CCCN(CCCNc1ccnc2cc(C(F)(F)F)ccc12)Cc1ccc(CC)cc1
|
C25H30F3N3 429.530000 |
BDUWNFQJKYVNEW-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688134; PubChem:CID172057108
|
Local ready
Direct docking supported
|
|
E3L034306
BDB034306
|
BDBM688135
Clc1ccc2c(NCCCNCc3cc4ccccc4s3)ccnc2c1
|
C21H20ClN3S 381.932000 |
MPGPWOTTZPQJRR-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688135; PubChem:CID172057069
|
Local ready
Direct docking supported
|
|
E3L034307
BDB034307
|
BDBM688136
Clc1ccc2c(NCCCNCc3csc4ccccc34)ccnc2c1
|
C21H20ClN3S 381.932000 |
VMHIFTBHFFDLSB-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688136; PubChem:CID145967384
|
Local ready
Direct docking supported
|
|
E3L034308
BDB034308
|
BDBM688137
FC(F)(F)c1ccc2c(NCCCNCc3cc(Br)cs3)ccnc2c1
|
C18H17BrF3N3S 444.320000 |
KSNJNQZLIIDIBX-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688137; PubChem:CID172057372
|
Local ready
Direct docking supported
|
|
E3L034309
BDB034309
|
BDBM688138
FC(F)(F)c1ccc2c(NCCCNCc3cc4ccccc4s3)ccnc2c1
|
C22H20F3N3S 415.484000 |
IOINTECRKWZEPE-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688138; PubChem:CID172056998
|
Local ready
Direct docking supported
|
|
E3L034310
BDB034310
|
BDBM688139
FC(F)(F)c1ccc2c(NCCCNCc3csc4ccccc34)ccnc2c1
|
C22H20F3N3S 415.484000 |
NBBHVDFOKUVDIQ-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688139; PubChem:CID172057399
|
Local ready
Direct docking supported
|
|
E3L034311
BDB034311
|
BDBM688140
Fc1ccc(CN(CCCCNc2ccnc3cc(Cl)ccc23)Cc2ccccc2)cc1
|
C27H27ClFN3 447.985000 |
KXMLDIGWSDSGGN-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688140; PubChem:CID172057128
|
Local ready
Direct docking supported
|
|
E3L034312
BDB034312
|
BDBM688141
CCCN(CCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12)Cc1ccc2[nH]ccc2c1
|
C29H31ClN4O 487.047000 |
KOBRXKATPGQSFQ-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688141; PubChem:CID172057105
|
Local ready
Direct docking supported
|
|
E3L034313
BDB034313
|
BDBM688142
CCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1c(C)cc(C)cc1C
|
C25H32ClN3 410.005000 |
PHKUDRWNUNNWST-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688142; PubChem:CID172057351
|
Local ready
Direct docking supported
|
|
E3L034314
BDB034314
|
BDBM688143
CCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1ccc(CC)cc1
|
C24H30ClN3 395.978000 |
QQJXYKCCQAHUCZ-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688143; PubChem:CID172057139
|
Local ready
Direct docking supported
|
|
E3L034315
BDB034315
|
BDBM688144
CCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1cc(C(F)(F)F)ccc1OC
|
C24H27ClF3N3O 465.947000 |
WRQBKTWGBSEVLW-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688144; PubChem:CID172057355
|
Local ready
Direct docking supported
|
|
E3L034316
BDB034316
|
BDBM688145
CCCN(CCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12)Cc1c(Cl)ccc(Cl)c1Cl
|
C27H27Cl4N3O 551.345000 |
UAJOAUIAZOKXJK-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688145; PubChem:CID172056973
|
Local ready
Direct docking supported
|
|
E3L034317
BDB034317
|
BDBM688146
CCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1ccc(-c2ccccc2)cc1
|
C28H30ClN3 444.022000 |
KMQJVNRTXZLISC-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688146; PubChem:CID172057360
|
Local ready
Direct docking supported
|
|
E3L034318
BDB034318
|
BDBM688147
CCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1ccc2ccccc2c1
|
C26H28ClN3 417.984000 |
ZEOUPIKXKPOLOJ-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688147; PubChem:CID172057020
|
Local ready
Direct docking supported
|
|
E3L034319
BDB034319
|
BDBM688148
Clc1cccc(-c2ccc(CNCCCNc3ccnc4cc(Cl)ccc34)o2)c1
|
C23H21Cl2N3O 426.347000 |
BYONQKQCRGMKDX-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688148; PubChem:CID172057025
|
Local ready
Direct docking supported
|
|
E3L034320
BDB034320
|
BDBM688149
CCCN(CCCNc1ccnc2cc(C(F)(F)F)ccc12)Cc1ccccc1OC
|
C24H28F3N3O 431.502000 |
SDBXYENLDNFJBK-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688149; PubChem:CID172057268
|
Local ready
Direct docking supported
|