| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L034401
BDB034401
|
BDBM688237
c1ccc(Cc2ccc3c(NCCCNCc4cccc5c4OCO5)ccnc3c2)cc1
|
C27H27N3O2 425.532000 |
GXBNWBAUNURBPG-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688237; PubChem:CID56593942
|
Local ready
Direct docking supported
|
|
E3L034402
BDB034402
|
BDBM688238
COc1ccc(Oc2ccc3c(NCCCNCc4cc(F)ccc4OC)ccnc3c2)cc1
|
C27H28FN3O3 461.537000 |
ZXMXSYGRUYATLC-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688238; PubChem:CID56593658
|
Local ready
Direct docking supported
|
|
E3L034403
BDB034403
|
BDBM688239
COC1CCCC(CNCCCNc2ccnc3cc(Cc4ccc(C#N)cc4)ccc23)C1O
|
C28H34N4O2 458.606000 |
WMIXWYHPXCTIJY-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688239; PubChem:CID172430011
|
Local ready
Direct docking supported
|
|
E3L034404
BDB034404
|
BDBM688240
Fc1ccc(Oc2ccc3c(NCCCNCc4cccc5c4OCO5)ccnc3c2)cc1
|
C26H24FN3O3 445.494000 |
RQSSLOMEJMWDSZ-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688240; PubChem:CID56593660
|
Local ready
Direct docking supported
|
|
E3L034405
BDB034405
|
BDBM688241
COc1cccc(CNCCCNc2ccnc3cc(Oc4ccc(F)cc4)ccc23)c1O
|
C26H26FN3O3 447.510000 |
HBFIUWDMPJUYSQ-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688241; PubChem:CID56593950
|
Local ready
Direct docking supported
|
|
E3L034406
BDB034406
|
BDBM688242
c1ccc(CCc2ccc3c(NCCCNCc4cccc5c4OCO5)ccnc3c2)cc1
|
C28H29N3O2 439.559000 |
ZNLLPADNOGKPFT-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688242; PubChem:CID56594874
|
Local ready
Direct docking supported
|
|
E3L034407
BDB034407
|
BDBM688243
N#Cc1ccc(Cc2ccc3c(NCCCNCc4cccc5c4OCO5)ccnc3c2)cc1
|
C28H26N4O2 450.542000 |
RLTIABHKWIZRPH-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688243; PubChem:CID56595018
|
Local ready
Direct docking supported
|
|
E3L034408
BDB034408
|
BDBM688245
Cc1cc(C)c(CNCCCNc2ccnc3cc(Cl)ccc23)c(C)c1
|
C22H26ClN3 367.924000 |
IZKZSGVZHIQXIC-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688245; PubChem:CID162444674
|
Local ready
Direct docking supported
|
|
E3L034409
BDB034409
|
BDBM688246
COc1cccc(CNCCC/N=C2/C=CNC3=CC=C(CC(C)C)C=CC32)c1O
|
C25H33N3O2 407.558000 |
YWVDPWQMJIZFEH-VYIQYICTSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB
BindingDB:BDBM688246
|
Local ready
Direct docking supported
|
|
E3L034410
BDB034410
|
BDBM688247
COc1ccc(C(F)(F)F)cc1CNCCCNc1ccnc2cc(C(F)(F)F)ccc12
|
C22H21F6N3O 457.418000 |
UVPGDVHSARXULO-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688247; PubChem:CID162444642
|
Local ready
Direct docking supported
|
|
E3L034411
BDB034411
|
BDBM688248
COc1ccc(F)cc1CNCCCNc1ccnc2cc(Cl)ccc12
|
C20H21ClFN3O 373.859000 |
PERNQMCAODISQO-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688248; PubChem:CID162444663
|
Local ready
Direct docking supported
|
|
E3L034412
BDB034412
|
BDBM688249
Clc1ccc2c(NCCCNCc3cccc4c3OCO4)ccnc2c1
|
C20H20ClN3O2 369.852000 |
OFSBGWQDFBFFGF-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688249; PubChem:CID46222241
|
Local ready
Direct docking supported
|
|
E3L034413
BDB034413
|
BDBM688250
COc1ccccc1CNCCCNc1ccnc2cc(Cl)ccc12
|
C20H22ClN3O 355.869000 |
RBYBWLMUVVIGKW-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688250; PubChem:CID162444662
|
Local ready
Direct docking supported
|
|
E3L034414
BDB034414
|
BDBM688251
Oc1ccc(Br)cc1CNCCCNc1ccnc2cc(Cl)ccc12
|
C19H19BrClN3O 420.738000 |
IQPUFWYPVHHNDR-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688251; PubChem:CID11350677
|
Local ready
Direct docking supported
|
|
E3L034415
BDB034415
|
BDBM688252
Oc1ccccc1CNCCCNc1ccnc2cc(Cl)ccc12
|
C19H20ClN3O 341.842000 |
OKHGAFCRESASHJ-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688252; PubChem:CID162444615
|
Local ready
Direct docking supported
|
|
E3L034416
BDB034416
|
BDBM688253
COc1ccc(O)c(C(C)NCCCNC2C=CN=C3C=C(Cl)C=CC32)c1
|
C21H26ClN3O2 387.911000 |
LLLUWDZBBPXIOC-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688253; PubChem:CID172430013
|
Local ready
Direct docking supported
|
|
E3L034417
BDB034417
|
BDBM688254
O=[N+]([O-])c1ccc(CNCCCNc2ccnc3cc(Cl)ccc23)cc1O
|
C19H19ClN4O3 386.839000 |
IRYRFEBYYYTXBZ-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688254; PubChem:CID162444684
|
Local ready
Direct docking supported
|
|
E3L034418
BDB034418
|
BDBM688255
COc1ccc(CNCCCNc2ccnc3cc(Cl)ccc23)cc1O
|
C20H22ClN3O2 371.868000 |
XECRPVDVYMSREK-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688255; PubChem:CID162444632
|
Local ready
Direct docking supported
|
|
E3L034419
BDB034419
|
BDBM688256
Oc1ccc(Br)c(CNCCCNc2ccnc3cc(Cl)ccc23)c1
|
C19H19BrClN3O 420.738000 |
ZISNKAHOGOHAGT-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688256; PubChem:CID162444660
|
Local ready
Direct docking supported
|
|
E3L034420
BDB034420
|
BDBM688257
CCCN(CCCCNc1ccnc2cc(Cl)ccc12)Cc1cc(Br)ccc1O
|
C23H27BrClN3O 476.846000 |
CDAPLNFCVWQYEL-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM688257; PubChem:CID162444640
|
Local ready
Direct docking supported
|