| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L034461
BDB034461
|
BDBM688299
COc1ccc(F)c(CNCCCNc2ccnc3cc(C(F)(F)F)ccc23)c1
|
C21H21F4N3O 407.411000 |
FJDVABRJDMYNRM-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688299; PubChem:CID162444641
|
Local ready
Direct docking supported
|
|
E3L034462
BDB034462
|
BDBM688300
Fc1cccc(C(F)(F)F)c1CNCCCNc1ccnc2cc(C(F)(F)F)ccc12
|
C21H18F7N3 445.382000 |
UTSAILXPZAXADO-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688300; PubChem:CID162444643
|
Local ready
Direct docking supported
|
|
E3L034463
BDB034463
|
BDBM688301
COc1ccc(OC(F)(F)F)cc1CNCCCNc1ccnc2cc(C(F)(F)F)ccc12
|
C22H21F6N3O2 473.417000 |
ZHRPRKSEGGDAPC-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688301; PubChem:CID162444633
|
Local ready
Direct docking supported
|
|
E3L034464
BDB034464
|
BDBM688302
Fc1cccc(CNCCCNc2ccnc3cc(C(F)(F)F)ccc23)c1
|
C20H19F4N3 377.385000 |
AHWDDWMJSZJEIF-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688302; PubChem:CID162444666
|
Local ready
Direct docking supported
|
|
E3L034465
BDB034465
|
BDBM688303
CN(C)C1=C2C=CC=CC2C(CNCCCNc2ccnc3cc(Cl)ccc23)C=C1
|
C25H29ClN4 420.988000 |
VYYKZDWJDVMYTD-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688303; PubChem:CID172430015
|
Local ready
Direct docking supported
|
|
E3L034466
BDB034466
|
BDBM688304
Nc1ccccc1CNCCCNc1ccnc2cc(Cl)ccc12
|
C19H21ClN4 340.858000 |
DEWLIOCKITUUHN-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688304; PubChem:CID162444681
|
Local ready
Direct docking supported
|
|
E3L034467
BDB034467
|
BDBM688305
Clc1ccc2c(NCCCNCc3ccc4c(c3)OCO4)ccnc2c1
|
C20H20ClN3O2 369.852000 |
KMDPUNCRTTTYLF-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688305; PubChem:CID137635078
|
Local ready
Direct docking supported
|
|
E3L034468
BDB034468
|
BDBM688306
COc1ccc(CNCCCNc2ccnc3cc(Cl)ccc23)cc1
|
C20H22ClN3O 355.869000 |
PDPMCTCTBJBALX-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688306; PubChem:CID71765048
|
Local ready
Direct docking supported
|
|
E3L034469
BDB034469
|
BDBM688307
Fc1ccccc1CNCCCNc1ccnc2cc(Cl)ccc12
|
C19H19ClFN3 343.833000 |
APJYZHGQSYGBBY-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688307; PubChem:CID162444617
|
Local ready
Direct docking supported
|
|
E3L034470
BDB034470
|
BDBM688308
Fc1cccc(CNCCCNc2ccnc3cc(Cl)ccc23)c1
|
C19H19ClFN3 343.833000 |
KXMISWPSQIPOJL-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688308; PubChem:CID162444625
|
Local ready
Direct docking supported
|
|
E3L034471
BDB034471
|
BDBM688309
Fc1ccc(CNCCCNc2ccnc3cc(Cl)ccc23)cc1
|
C19H19ClFN3 343.833000 |
UZQUGTIKVXWZGE-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688309; PubChem:CID71765050
|
Local ready
Direct docking supported
|
|
E3L034472
BDB034472
|
BDBM688310
N#Cc1cccc(CNCCCNc2ccnc3cc(Cl)ccc23)c1
|
C20H19ClN4 350.853000 |
ULDZQHMEHBEAAX-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688310; PubChem:CID162444672
|
Local ready
Direct docking supported
|
|
E3L034473
BDB034473
|
BDBM688311
Clc1ccc2c(NCCCNCc3ccc4ccccc4c3)ccnc2c1
|
C23H22ClN3 375.903000 |
YUHOHYQQDUIJPR-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688311; PubChem:CID162444650
|
Local ready
Direct docking supported
|
|
E3L034474
BDB034474
|
BDBM688312
Cc1cccc(CNCCCNc2ccnc3cc(Cl)ccc23)c1
|
C20H22ClN3 339.870000 |
IUUTWGCZDVVYOL-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688312; PubChem:CID162444659
|
Local ready
Direct docking supported
|
|
E3L034475
BDB034475
|
BDBM688313
COC(=O)c1ccc(CNCCCNc2ccnc3cc(Cl)ccc23)cc1
|
C21H22ClN3O2 383.879000 |
LTIVLEXBAIXBMC-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688313; PubChem:CID162444669
|
Local ready
Direct docking supported
|
|
E3L034476
BDB034476
|
Tafenoquine
COc1cc(C)c2c(Oc3cccc(C(F)(F)F)c3)c(OC)cc(NC(C)CCCN)c2n1
|
C24H28F3N3O3 463.500000 |
LBHLFPGPEGDCJG-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688316; PubChem:CID115358
|
Local ready
Direct docking supported
|
|
E3L034477
BDB034477
|
BDBM688317
Fc1ccc2c(NCCCNCc3ccc(OC(F)(F)F)cc3)ccnc2c1
|
C20H19F4N3O 393.384000 |
NTLXBOVOGKRMAV-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688317; PubChem:CID172430017
|
Local ready
Direct docking supported
|
|
E3L034478
BDB034478
|
BDBM688318
COc1c2ccoc2nc2c(OC)c(OCC(O)C(C)O)ccc12
|
C17H19NO6 333.340000 |
XHLDGNAAXKMXKO-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688318; PubChem:CID172057172
|
Local ready
Direct docking supported
|
|
E3L034479
BDB034479
|
BDBM688319
COc1ccc(OC)c2c(O)c(CN3CCCCC3C)c(C)nc12
|
C19H26N2O3 330.428000 |
OKANURXPTRDENB-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688319; PubChem:CID3652304
|
Local ready
Direct docking supported
|
|
E3L034480
BDB034480
|
5,8-Dimethoxy-2-methylquinolin-4-ol
COc1ccc(OC)c2c(O)cc(C)nc12
|
C12H13NO3 219.240000 |
UACXXSYLUDAQFM-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688320; PubChem:CID268977
|
Local ready
Direct docking supported
|