| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L014121
BDB014121
|
BDBM318860
COc1cc(N2C(=O)c3c(C4CC4)nn(C)c3C2c2ccc(Cl)cc2)cn2c(C(F)F)nnc12
|
C23H19ClF2N6O2 484.894000 |
FBLOSBSWOXHYPV-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM318860; PubChem:CID86293371
|
Local ready
Direct docking supported
|
|
E3L014122
BDB014122
|
US9624247, Example 24
Cc1cc(N2C(=O)c3c(C4CC4)nn(C)c3[C@H]2c2ccc(Cl)cc2)nn2c(C)nnc12
|
C22H20ClN7O 433.903000 |
AVVWKDYUXSFEJL-LJQANCHMSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM318861; PubChem:CID86290954
|
Local ready
Direct docking supported
|
|
E3L014123
BDB014123
|
BDBM318862
Cc1cc(N2C(=O)c3c(C4CC4)nn(-c4ccnn4C)c3C2c2ccc(Cl)cc2)nn2c(C)nnc12
|
C25H22ClN9O 499.966000 |
MLMDKPAWBXFXNA-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM318862; PubChem:CID86293373
|
Local ready
Direct docking supported
|
|
E3L014124
BDB014124
|
BDBM318863
Cc1nnc2c(NC(=O)OC(C)(C)C)cc(N3C(=O)c4c(C5CC5)nn(C)c4C3c3ccc(Cl)cc3)cn12
|
C27H28ClN7O3 534.020000 |
OYDMPDMTZYTSSQ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM318863; PubChem:CID86293559
|
Local ready
Direct docking supported
|
|
E3L014125
BDB014125
|
BDBM318864
Cc1nnc2c(N)cc(N3C(=O)c4c(C5CC5)nn(C)c4C3c3ccc(Cl)cc3)cn12
|
C22H20ClN7O 433.903000 |
FRDVUWTYVBTBSE-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM318864; PubChem:CID86293560
|
Local ready
Direct docking supported
|
|
E3L014126
BDB014126
|
BDBM319594
CCNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C24H22F4IN5O3S 663.435000 |
LOPFFGYJBIMBSE-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM319594; PubChem:CID156808747
|
Local ready
Direct docking supported
|
|
E3L014127
BDB014127
|
BDBM319595
O=C(NC1CC1)c1cc(Cc2ccnc(NS(=O)(=O)NC3CC3)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C25H22F4IN5O3S 675.446000 |
GZEKNZXQCOKIPI-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM319595; PubChem:CID156808828
|
Local ready
Direct docking supported
|
|
E3L014128
BDB014128
|
BDBM319596
O=C(NC1CC1)c1cc(Cc2ccnc(NS(=O)(=O)NCCF)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C24H21F5IN5O3S 681.425000 |
YRKLUPVSKKKSFY-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM319596; PubChem:CID156808929
|
Local ready
Direct docking supported
|
|
E3L014129
BDB014129
|
BDBM319599
CNC(=O)c1cc(Cc2ccnc(NS(=O)(=O)NC)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C21H18F4IN5O3S 623.370000 |
AMURVXAYQGXAHX-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM319599; PubChem:CID156808827
|
Local ready
Direct docking supported
|
|
E3L014130
BDB014130
|
BDBM319604
CNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NOC(C)(C)C)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C24H24F4IN5O4S 681.450000 |
KXEFWEJDWLGBJH-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM319604; PubChem:CID156808764
|
Local ready
Direct docking supported
|
|
E3L014131
BDB014131
|
BDBM319638
FC(F)(F)c1[nH]nnc1-c1ccnc(-c2cn(CCc3ccccc3Cl)cn2)c1
|
C19H14ClF3N6 418.810000 |
CJVNIQLAVPEOHD-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319638; PubChem:CID121454371
|
Local ready
Direct docking supported
|
|
E3L014132
BDB014132
|
BDBM319639
FC(F)(F)c1[nH]nnc1-c1ccnc(-c2cn(CC3CCCc4ccccc43)cn2)c1
|
C22H19F3N6 424.430000 |
GZSKYQYFMMZVFA-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319639; PubChem:CID121454377
|
Local ready
Direct docking supported
|
|
E3L014133
BDB014133
|
BDBM319640
CCOc1ccccc1CCn1cnc(-c2cc(-c3nn[nH]c3C(F)(F)F)ccn2)c1
|
C21H19F3N6O 428.418000 |
LAHJCVJYCGEQRW-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319640; PubChem:CID121290254
|
Local ready
Direct docking supported
|
|
E3L014134
BDB014134
|
BDBM319641
FC(F)(F)c1ccccc1CCn1cnc(-c2cc(-c3nn[nH]c3C(F)(F)F)ccn2)c1
|
C20H14F6N6 452.362000 |
IQXPWKHDTIHLLB-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319641; PubChem:CID121290275
|
Local ready
Direct docking supported
|
|
E3L014135
BDB014135
|
BDBM319642
Fc1ccc(Cn2cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c2)cc1
|
C18H12F4N6 388.328000 |
CJUOHMUQVUCXSI-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319642; PubChem:CID121454361
|
Local ready
Direct docking supported
|
|
E3L014136
BDB014136
|
BDBM319643
Fc1ccccc1Cn1cnc(-c2cc(-c3nn[nH]c3C(F)(F)F)ccn2)c1
|
C18H12F4N6 388.328000 |
KNEMBLMOWACLIK-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319643; PubChem:CID121454362
|
Local ready
Direct docking supported
|
|
E3L014137
BDB014137
|
BDBM319644
FC(F)(F)c1[nH]nnc1-c1ccnc(-c2cn(Cc3ccc(Cl)cc3)cn2)c1
|
C18H12ClF3N6 404.783000 |
UPFBFWHBHKNIFJ-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319644; PubChem:CID121454351
|
Local ready
Direct docking supported
|
|
E3L014138
BDB014138
|
BDBM319645
FC(F)(F)c1[nH]nnc1-c1ccnc(-c2cn(Cc3ccccc3Cl)cn2)c1
|
C18H12ClF3N6 404.783000 |
XEYGIAOMKHNUTC-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319645; PubChem:CID121454386
|
Local ready
Direct docking supported
|
|
E3L014139
BDB014139
|
BDBM319646
Cc1ccc(Cn2cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c2)cc1
|
C19H15F3N6 384.365000 |
BHPBVHSFDSZGKN-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319646; PubChem:CID121454396
|
Local ready
Direct docking supported
|
|
E3L014140
BDB014140
|
BDBM319647
Cc1ccccc1Cn1cnc(-c2cc(-c3nn[nH]c3C(F)(F)F)ccn2)c1
|
C19H15F3N6 384.365000 |
IOKZWCBMXXDCIJ-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319647; PubChem:CID121454373
|
Local ready
Direct docking supported
|