| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L034281
BDB034281
|
BDBM688110
Clc1ccc(Oc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1
|
C23H22ClN3O2 407.901000 |
IVHAGHYALPYDPQ-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688110; PubChem:CID56593664
|
Local ready
Direct docking supported
|
|
E3L034282
BDB034282
|
BDBM688111
c1coc(CNCCCNc2ccnc3cc(C4CCCCC4)ccc23)c1
|
C23H29N3O 363.505000 |
GNHDRXQNHMTCLD-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688111; PubChem:CID56593806
|
Local ready
Direct docking supported
|
|
E3L034283
BDB034283
|
BDBM688112
c1coc(CNCCCNc2ccnc3cc(-c4cccc5ccccc45)ccc23)c1
|
C27H25N3O 407.517000 |
YMHAHROURTWZPM-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688112; PubChem:CID56594747
|
Local ready
Direct docking supported
|
|
E3L034284
BDB034284
|
BDBM688113
c1coc(CNCCCNc2ccnc3cc(-c4ccc5c(c4)OCO5)ccc23)c1
|
C24H23N3O3 401.466000 |
BLMQLDUZTMQTMS-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688113; PubChem:CID56594219
|
Local ready
Direct docking supported
|
|
E3L034285
BDB034285
|
BDBM688114
Cc1cc(C)cc(Cc2ccc3c(NCCCNCc4ccco4)ccnc3c2)c1
|
C26H29N3O 399.538000 |
NRFHZMVQVMYDPJ-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688114; PubChem:CID56594751
|
Local ready
Direct docking supported
|
|
E3L034286
BDB034286
|
BDBM688115
Oc1c(F)cc(F)cc1CN(CCCCNc1ccnc2cc(Cl)ccc12)Cc1ccccc1
|
C27H26ClF2N3O 481.974000 |
IQPGVSLMIKOMPL-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688115; PubChem:CID172057294
|
Local ready
Direct docking supported
|
|
E3L034287
BDB034287
|
BDBM688116
CC(C)(C)CCN(CCCCNc1ccnc2cc(Cl)ccc12)Cc1ccccc1
|
C26H34ClN3 424.032000 |
XGFKOAZGSQSWMJ-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688116; PubChem:CID172057072
|
Local ready
Direct docking supported
|
|
E3L034288
BDB034288
|
BDBM688117
C=C1C=C(C)C=C(C)C(CN(CCCNc2ccnc3cc(Cl)ccc23)Cc2ccccc2)=C1
|
C30H32ClN3 470.060000 |
RKHZLACSXHXYOP-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688117; PubChem:CID172430006
|
Local ready
Direct docking supported
|
|
E3L034289
BDB034289
|
BDBM688118
Clc1ccc2c(NCCCCN(Cc3ccccc3)CC3CCCCC3)ccnc2c1
|
C27H34ClN3 436.043000 |
IZOLDGQSNHTJES-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688118; PubChem:CID172057066
|
Local ready
Direct docking supported
|
|
E3L034290
BDB034290
|
BDBM688119
Clc1ccc(CN(CCCCNc2ccnc3cc(Cl)ccc23)Cc2ccccc2)c(Cl)c1
|
C27H26Cl3N3 498.885000 |
IUSIOVKELHODHG-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688119; PubChem:CID172057042
|
Local ready
Direct docking supported
|
|
E3L034291
BDB034291
|
BDBM688120
CCC(C)CN(CCCCNc1ccnc2cc(Cl)ccc12)Cc1ccccc1
|
C25H32ClN3 410.005000 |
TZPHZKPLUODVFW-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688120; PubChem:CID172057306
|
Local ready
Direct docking supported
|
|
E3L034292
BDB034292
|
BDBM688121
Cc1ccc(C)c(CN(CCCCNc2ccnc3cc(Cl)ccc23)Cc2ccccc2)c1
|
C29H32ClN3 458.049000 |
JAPWKTVSVHMMBU-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688121; PubChem:CID172056967
|
Local ready
Direct docking supported
|
|
E3L034293
BDB034293
|
BDBM688122
CCCN(CCNc1ccnc2cc(C(F)(F)F)ccc12)Cc1ccc[nH]1
|
C20H23F3N4 376.426000 |
JYWGCIDZPKTRCO-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688122; PubChem:CID172057418
|
Local ready
Direct docking supported
|
|
E3L034294
BDB034294
|
BDBM688123
CCCN(CCCNc1ccnc2cc(C(F)(F)F)ccc12)CC1CC1
|
C20H26F3N3 365.443000 |
ZNQYDRXTDXZOCG-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688123; PubChem:CID172057305
|
Local ready
Direct docking supported
|
|
E3L034295
BDB034295
|
BDBM688124
CCCN(CCCNc1ccnc2cc(C(F)(F)F)ccc12)CC1CCCCC1
|
C23H32F3N3 407.524000 |
JWQMZCMKZAUKNV-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688124; PubChem:CID172057347
|
Local ready
Direct docking supported
|
|
E3L034296
BDB034296
|
BDBM688125
CCCN(CCCNc1ccnc2cc(C(F)(F)F)ccc12)CC(CC)CC
|
C22H32F3N3 395.513000 |
FVWXZNDGYUIKCC-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688125; PubChem:CID172057006
|
Local ready
Direct docking supported
|
|
E3L034297
BDB034297
|
BDBM688126
CCCCCN(CCC)CCCNc1ccnc2cc(C(F)(F)F)ccc12
|
C21H30F3N3 381.486000 |
OOWQWLMBNHBOJM-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688126; PubChem:CID172057030
|
Local ready
Direct docking supported
|
|
E3L034298
BDB034298
|
BDBM688127
Clc1ccc2c(NCCCN(Cc3ccccc3)Cc3c[nH]c4ccccc34)ccnc2c1
|
C28H27ClN4 455.005000 |
RPPLOOACCVMQMN-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688127; PubChem:CID172057045
|
Local ready
Direct docking supported
|
|
E3L034299
BDB034299
|
BDBM688128
COC1CCC(C(F)(F)F)C1CN(CCCCNc1ccnc2cc(Cl)ccc12)Cc1ccccc1
|
C28H33ClF3N3O 520.039000 |
YZNHMTOQIIGHBF-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688128; PubChem:CID172430007
|
Local ready
Direct docking supported
|
|
E3L034300
BDB034300
|
BDBM688129
Clc1ccc2c(NCCCCN(Cc3ccccc3)Cc3csc4ccccc34)ccnc2c1
|
C29H28ClN3S 486.084000 |
XUGFBQDSSOJGIY-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688129; PubChem:CID172057012
|
Local ready
Direct docking supported
|