| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L062081
BDB062081
|
BDBM50594026
O=C(Nc1ccc(F)cc1)c1ccc(NC(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)cc1
|
C34H28F2N6O4 622.632000 |
CXANDIUMTJKCEI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50594026; PubChem:CID168283214
|
Local ready
Direct docking supported
|
|
E3L062082
BDB062082
|
BDBM50594027
O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(NC(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)cc1
|
C35H28F4N6O4 672.639000 |
UAVGSHVHWKPCPP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50594027; PubChem:CID168277693
|
Local ready
Direct docking supported
|
|
E3L062083
BDB062083
|
Parp1/2/tnks1/2-IN-1
COc1ccc(NC(=O)c2ccc(NC(=O)N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)cc2)cc1
|
C35H31FN6O5 634.668000 |
JLVRTMBMCWYGAL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50594028; PubChem:CID168277795
|
Local ready
Direct docking supported
|
|
E3L062084
BDB062084
|
4-[5,6-Bis(4-bromophenyl)pyrazin-2-yl]oxybutan-1-amine
NCCCCOc1cnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1
|
C20H19Br2N3O 477.200000 |
XAQTUCLMVMUIFF-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50594029; PubChem:CID168297489
|
Local ready
Direct docking supported
|
|
E3L062085
BDB062085
|
BDBM50594030
CNCCCCOc1cnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1
|
C21H21Br2N3O 491.227000 |
IXQXBBYLUCETOA-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50594030; PubChem:CID168287085
|
Local ready
Direct docking supported
|
|
E3L062086
BDB062086
|
3-[5,6-Bis(4-bromophenyl)pyrazin-2-yl]oxypropan-1-amine
NCCCOc1cnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1
|
C19H17Br2N3O 463.173000 |
YJQXVWOPNMVOIL-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50594031; PubChem:CID168276118
|
Local ready
Direct docking supported
|
|
E3L062087
BDB062087
|
BDBM50594032
CN(C)CCCOc1cnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1
|
C21H21Br2N3O 491.227000 |
ZYHMLJPRTXITLX-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50594032; PubChem:CID168271326
|
Local ready
Direct docking supported
|
|
E3L062088
BDB062088
|
2-[5,6-Bis(4-bromophenyl)pyrazin-2-yl]oxyethanamine
NCCOc1cnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1
|
C18H15Br2N3O 449.146000 |
GYFHRKTXUNIAKO-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50594033; PubChem:CID168276411
|
Local ready
Direct docking supported
|
|
E3L062089
BDB062089
|
BDBM50594034
CNCCOc1cnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1
|
C19H17Br2N3O 463.173000 |
HGUFQKPCYZIOTM-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50594034; PubChem:CID168287874
|
Local ready
Direct docking supported
|
|
E3L062090
BDB062090
|
BDBM50594035
CC(=O)NCCOc1cnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1
|
C20H17Br2N3O2 491.183000 |
DFMRSQFIIPOPDA-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50594035; PubChem:CID168281595
|
Local ready
Direct docking supported
|
|
E3L062091
BDB062091
|
BDBM50594036
Brc1ccc(-c2ncc(OCC3CCNC3)nc2-c2ccc(Br)cc2)cc1
|
C21H19Br2N3O 489.211000 |
VWIRQOZGXGOPMI-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50594036; PubChem:CID168293504
|
Local ready
Direct docking supported
|
|
E3L062092
BDB062092
|
5,6-Bis-(4-bromophenyl)-pyrazine-2-carboxylic acid
O=C(O)c1cnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1
|
C17H10Br2N2O2 434.087000 |
TWOJMHLGDGWJPJ-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50594037; PubChem:CID69051372
|
Local ready
Direct docking supported
|
|
E3L062093
BDB062093
|
BDBM50594038
Clc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(Cl)cc2)cc1
|
C22H21Cl2N3O 414.336000 |
USJCTMANOKLICO-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50594038; PubChem:CID143313011
|
Local ready
Direct docking supported
|
|
E3L062094
BDB062094
|
BDBM50594039
Fc1cc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(Br)c(F)c2)ccc1Br
|
C22H19Br2F2N3O 539.218000 |
BNBIWOOGIBMRBD-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50594039; PubChem:CID168294948
|
Local ready
Direct docking supported
|
|
E3L062095
BDB062095
|
BDBM50594040
Brc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(Br)c(Br)c2)cc1Br
|
C22H19Br4N3O 661.030000 |
GBLQUXIMIFKTJV-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50594040; PubChem:CID168284848
|
Local ready
Direct docking supported
|
|
E3L062096
BDB062096
|
BDBM50594041
Brc1cccc(-c2ncc(OCC3CCNCC3)nc2-c2cccc(Br)c2)c1
|
C22H21Br2N3O 503.238000 |
HWNOJJMKTZQJJR-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50594041; PubChem:CID168271844
|
Local ready
Direct docking supported
|
|
E3L062097
BDB062097
|
BDBM50594042
COc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(OC)cc2)cc1
|
C24H27N3O3 405.498000 |
QYPZKRHMEFQHRI-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50594042; PubChem:CID168281809
|
Local ready
Direct docking supported
|
|
E3L062098
BDB062098
|
BDBM50594043
FC(F)(F)c1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(C(F)(F)F)cc2)cc1
|
C24H21F6N3O 481.440000 |
BUNJEMWXCCVMKI-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50594043; PubChem:CID168280212
|
Local ready
Direct docking supported
|
|
E3L062099
BDB062099
|
BDBM50594044
CCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(CC)cc2)cc1
|
C26H31N3O 401.554000 |
VWLAWQZTAUCRPM-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50594044; PubChem:CID168285901
|
Local ready
Direct docking supported
|
|
E3L062100
BDB062100
|
BDBM50594045
c1ccc(-c2ccc(-c3ncc(OCC4CCNCC4)nc3-c3ccc(-c4ccccn4)cc3)cc2)nc1
|
C32H29N5O 499.618000 |
ZAWOLMHUGKUWAC-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50594045; PubChem:CID168279721
|
Local ready
Direct docking supported
|