| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L019001
BDB019001
|
US10696655, Example 115
C[C@H]1Oc2c(cccc2N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)NC1=O
|
C23H22F2N4O2 424.451000 |
JBEVNJOPLKFKNO-CYBMUJFWSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM448649; PubChem:CID132181477
|
Local ready
Direct docking supported
|
|
E3L019002
BDB019002
|
US10696655, Example 116
CN1Cc2c(cccc2N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)NC1=O
|
C23H23F2N5O 423.467000 |
YNUPXVQTFDBYKR-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM448650; PubChem:CID132169780
|
Local ready
Direct docking supported
|
|
E3L019003
BDB019003
|
US10696655, Example 117
CNC(=O)[C@H]1CCc2ccc(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nc21
|
C24H25F2N5O 437.494000 |
NOXYHNFXBPCGGL-KRWDZBQOSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM448651; PubChem:CID132181855
|
Local ready
Direct docking supported
|
|
E3L019004
BDB019004
|
US10696655, Example 118
CNC(=O)[C@@H]1CCc2ccc(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nc21
|
C24H25F2N5O 437.494000 |
NOXYHNFXBPCGGL-QGZVFWFLSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM448652; PubChem:CID132181758
|
Local ready
Direct docking supported
|
|
E3L019005
BDB019005
|
US10696655, Example 119
CNC(=O)c1ccc2cncc(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)c2c1
|
C25H23F2N5O 447.489000 |
FRSHUHXRLQLYHJ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM448653; PubChem:CID132168918
|
Local ready
Direct docking supported
|
|
E3L019006
BDB019006
|
US10696655, Example 120
CNC(=O)c1ccc2cccc(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)c2n1
|
C25H23F2N5O 447.489000 |
LWAQJYLHDNSVQX-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM448654; PubChem:CID132169805
|
Local ready
Direct docking supported
|
|
E3L019007
BDB019007
|
US10696655, Example 121
CNC(=O)c1cccc2oc(-c3cccc4cc(-c5cnn(C)c5)ncc34)nc12
|
C22H17N5O2 383.411000 |
BHOQOECVNLRMPT-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM448655; PubChem:CID132181480
|
Local ready
Direct docking supported
|
|
E3L019008
BDB019008
|
US10696655, Example 122
CNC(=O)Nc1cccc(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
|
C21H22F2N6O 412.444000 |
BUBMFOFRUIBLNV-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM448656; PubChem:CID132169557
|
Local ready
Direct docking supported
|
|
E3L019009
BDB019009
|
US10696655, Example 124
CNC(=O)c1cn(C)nc1C(=O)Nc1cccc2cc(-c3cnn(C)c3)ncc12
|
C20H19N7O2 389.419000 |
BLBHGZHYNDVSDI-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM448658; PubChem:CID132181488
|
Local ready
Direct docking supported
|
|
E3L019010
BDB019010
|
US10696655, Example 125
CNC(=O)c1ccc2c(n1)c(N1CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc31)nn2C1CCOCC1
|
C27H29F2N7O2 521.572000 |
YLVCOGZGKINOTK-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM448659; PubChem:CID132181756
|
Local ready
Direct docking supported
|
|
E3L019011
BDB019011
|
US10696655, Example 126
CNC(=O)C1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1
|
C28H34F2N6O2 524.616000 |
ZNFKKUDFIGXIGU-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM448660; PubChem:CID132169404
|
Local ready
Direct docking supported
|
|
E3L019012
BDB019012
|
BDBM449215
COc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccc(OCC(=O)NCCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc2)n(C)c(=O)n3C)cc1OC
|
C44H45N7O14S 927.946000 |
AMYWAEHMUIMYBU-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB
BindingDB:BDBM449215
|
Local ready
Direct docking supported
|
|
E3L019013
BDB019013
|
BDBM449220
COc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccc(OCC(=O)NCCCCCCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc2)n(C)c(=O)n3C)cc1OC
|
C48H53N7O14S 984.054000 |
LHKJSNLKJBPFNE-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB
BindingDB:BDBM449220
|
Local ready
Direct docking supported
|
|
E3L019014
BDB019014
|
BDBM449221
COc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccc(OCC(=O)NCCCOCCOCCOCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc2)n(C)c(=O)n3C)cc1OC
|
C50H57N7O17S 1060.105000 |
ALZSYDKPXBHNEZ-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB
BindingDB:BDBM449221
|
Local ready
Direct docking supported
|
|
E3L019015
BDB019015
|
BDBM449224
CCCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2cccc(C(=O)NCCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c2)n(C)c(=O)n3C)c1
|
C44H45N7O12S 895.948000 |
PEOLPNMSIJSZPW-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB
BindingDB:BDBM449224
|
Local ready
Direct docking supported
|
|
E3L019016
BDB019016
|
BDBM449232
CCCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2cccc(C(=O)NCCCCCCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c2)n(C)c(=O)n3C)c1
|
C48H53N7O12S 952.056000 |
LMQYNIJRLCXBGJ-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB
BindingDB:BDBM449232
|
Local ready
Direct docking supported
|
|
E3L019017
BDB019017
|
BDBM449269
CCCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2cccc(C(=O)NCCCOCCOCCOCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c2)n(C)c(=O)n3C)c1
|
C50H57N7O15S 1028.107000 |
WTRKKEPRQIRFRP-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB
BindingDB:BDBM449269
|
Local ready
Direct docking supported
|
|
E3L019018
BDB019018
|
BDBM449280
Cc1nc(S(=O)(=O)Nc2cc3c(cc2Oc2cccc(OCC(=O)NCCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c2)n(C)c(=O)n3C)cn1C
|
C41H43N9O12S 885.913000 |
PNPWPWLJFDIWGG-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB
BindingDB:BDBM449280
|
Local ready
Direct docking supported
|
|
E3L019019
BDB019019
|
BDBM449281
Cc1nc(S(=O)(=O)Nc2cc3c(cc2Oc2cccc(OCC(=O)NCCCCCCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c2)n(C)c(=O)n3C)cn1C
|
C45H51N9O12S 942.021000 |
JTXZDNPQJNRHTK-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB
BindingDB:BDBM449281
|
Local ready
Direct docking supported
|
|
E3L019020
BDB019020
|
BDBM449284
Cc1nc(S(=O)(=O)Nc2cc3c(cc2Oc2cccc(OCC(=O)NCCCOCCOCCOCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c2)n(C)c(=O)n3C)cn1C
|
C47H55N9O15S 1018.072000 |
UTXYRYDWEAYRSV-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB
BindingDB:BDBM449284
|
Local ready
Direct docking supported
|