| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046781
BDB046781
|
N-(1,4-dimethyl-2-oxoquinolin-7-yl)methanesulfonamide
Cc1cc(=O)n(C)c2cc(NS(C)(=O)=O)ccc12
|
C12H14N2O3S 266.322000 |
LJTKZAIXTKZSBU-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50150060; PubChem:CID105539873
|
Local ready
Direct docking supported
|
|
E3L046782
BDB046782
|
BDBM50150068
CNC(=O)c1cc(OCC(=O)Nc2ccccc2)ccc1OC1CCOCC1
|
C21H24N2O5 384.432000 |
OLSMYKUQDJESEU-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50150068; PubChem:CID105539871
|
Local ready
Direct docking supported
|
|
E3L046783
BDB046783
|
Oleic Acid
CCCCCCCC/C=C\CCCCCCCC(=O)O
|
C18H34O2 282.468000 |
ZQPPMHVWECSIRJ-KTKRTIGZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50150484; PubChem:CID445639
|
Local ready
Direct docking supported
|
|
E3L046784
BDB046784
|
BDBM50150756
CCCOc1cc(OCCCCCCN)cc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)n(C)c(=O)n3C)c1
|
C32H42N4O8S 642.775000 |
CKWMQEHOKHQQEY-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50150756; PubChem:CID118896472
|
Local ready
Direct docking supported
|
|
E3L046785
BDB046785
|
BDBM50150757
CCCOc1cc(OCCCCCCO)cc(Oc2cc3c(cc2NS(=O)(=O)c2cn(C)cn2)n(C)c(=O)n3C)c1
|
C28H37N5O7S 587.699000 |
KVQHINMFWSWVOJ-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50150757; PubChem:CID118896640
|
Local ready
Direct docking supported
|
|
E3L046786
BDB046786
|
BDBM50150758
CCCOc1cc(OCCCCCCN)cc(Oc2cc3c(cc2NS(=O)(=O)c2cn(C)cn2)n(C)c(=O)n3C)c1
|
C28H38N6O6S 586.715000 |
ZKGVLQRSNIMICL-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50150758; PubChem:CID118896376
|
Local ready
Direct docking supported
|
|
E3L046787
BDB046787
|
BDBM50150759
CCCOc1cc(OCCCCCCNC(=O)OC(C)(C)C)cc(Oc2cc3c(cc2NS(=O)(=O)c2cn(C)cn2)n(C)c(=O)n3C)c1
|
C33H46N6O8S 686.832000 |
POGCVDBDSGYDLY-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50150759; PubChem:CID118909783
|
Local ready
Direct docking supported
|
|
E3L046788
BDB046788
|
BDBM50150760
COc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2cccc(OCCCCN(C)C)c2)n(C)c(=O)n3C)cc1OC
|
C29H36N4O7S 584.695000 |
NREMUMNAOQJJAL-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50150760; PubChem:CID127030561
|
Local ready
Direct docking supported
|
|
E3L046789
BDB046789
|
BDBM50150761
Cn1cnc(S(=O)(=O)Nc2cc3c(cc2Oc2cccc(OCC4CCOC4)c2)n(C)c(=O)n3C)c1
|
C24H27N5O6S 513.576000 |
XUYARXQUNNANMN-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50150761; PubChem:CID118896487
|
Local ready
Direct docking supported
|
|
E3L046790
BDB046790
|
BDBM50150778
O=NC1Cc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)CC(N=O)C(=O)NCCc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)C=CNC1=O
|
C34H26Br4N4O8 938.218000 |
VRDYCFRZLGLDCE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50150778
|
Local ready
Direct docking supported
|
|
E3L046791
BDB046791
|
BDBM50150796
COCCCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2cn(C)c(C)n2)n(C)c(=O)n3C)c1
|
C24H29N5O6S 515.592000 |
QGQCRBLYAPATDC-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50150796; PubChem:CID118896409
|
Local ready
Direct docking supported
|
|
E3L046792
BDB046792
|
BDBM50150800
CC(C)COc1cccc(Oc2ccc3c(c2)n(C)c(=O)n3C)c1
|
C19H22N2O3 326.396000 |
VHGMYVXHAMPJTO-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50150800; PubChem:CID127031786
|
Local ready
Direct docking supported
|
|
E3L046793
BDB046793
|
BDBM50150801
CC(C)COc1cccc(Oc2cc3c(cc2NS(=O)(=O)C2CC2)n(C)c(=O)n3C)c1
|
C22H27N3O5S 445.541000 |
OETOFCHOQKDFHK-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50150801; PubChem:CID118896464
|
Local ready
Direct docking supported
|
|
E3L046794
BDB046794
|
BDBM50150803
CCCCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2cn(C)c(C)n2)n(C)c(=O)n3C)c1
|
C24H29N5O5S 499.593000 |
TZEGJLQNQVMDKO-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50150803; PubChem:CID118896484
|
Local ready
Direct docking supported
|
|
E3L046795
BDB046795
|
BDBM50150808
Cc1nc(S(=O)(=O)Nc2cc3c(cc2Oc2cccc(OCC(C)C)c2)n(C)c(=O)n3C)cn1C
|
C24H29N5O5S 499.593000 |
QYVGOEVQCUQELI-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50150808; PubChem:CID91808037
|
Local ready
Direct docking supported
|
|
E3L046796
BDB046796
|
BDBM50150811
CCCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2cn(C)c(C)n2)n(C)c(=O)n3C)c1
|
C23H27N5O5S 485.566000 |
LSCCJMMALWILLE-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50150811; PubChem:CID118896759
|
Local ready
Direct docking supported
|
|
E3L046797
BDB046797
|
IACS-7e
CCCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)n(C)c(=O)n3C)c1
|
C26H29N3O7S 527.599000 |
DYNNLYLIKZTWRT-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50150812; PubChem:CID118896778
|
Local ready
Direct docking supported
|
|
E3L046798
BDB046798
|
BDBM50150813
CCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2cn(C)c(C)n2)n(C)c(=O)n3C)c1
|
C22H25N5O5S 471.539000 |
BRAKLLLAGKDCOC-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50150813; PubChem:CID118896672
|
Local ready
Direct docking supported
|
|
E3L046799
BDB046799
|
BDBM50150814
Cc1nc(S(=O)(=O)Nc2cc3c(cc2Oc2cccc(OCc4ccccc4)c2)n(C)c(=O)n3C)cn1C
|
C27H27N5O5S 533.610000 |
ADCUUXTZXWDEEX-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50150814; PubChem:CID118896503
|
Local ready
Direct docking supported
|
|
E3L046800
BDB046800
|
BDBM50150815
COc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2cccc(OCc4ccccc4)c2)n(C)c(=O)n3C)cc1OC
|
C30H29N3O7S 575.643000 |
OVQRUFSHJHJYMA-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50150815; PubChem:CID91808036
|
Local ready
Direct docking supported
|