| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L020961
BDB020961
|
BDBM503607
CN(C)C(=O)c1ccc(N2CCN(C(=O)CCc3nc4ccccc4c(=O)[nH]3)CC2)c(Cl)c1
|
C24H26ClN5O3 467.957000 |
YNHIKPSSEGFLCJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503607; PubChem:CID137289746
|
Local ready
Direct docking supported
|
|
E3L020962
BDB020962
|
BDBM503608
CNC(=N)c1ccc(N2CCN(C(=O)CCc3nc4ccccc4c(=O)[nH]3)CC2)nc1
|
C22H25N7O2 419.489000 |
XXLRUTLIVVEGKI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503608; PubChem:CID137289742
|
Local ready
Direct docking supported
|
|
E3L020963
BDB020963
|
BDBM503609
O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccc(C3=NCCN3)cn2)CC1
|
C23H25N7O2 431.500000 |
HYIHXQOJGMSKMY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503609; PubChem:CID137304573
|
Local ready
Direct docking supported
|
|
E3L020964
BDB020964
|
BDBM503610
O=C(CCc1nc2c(Cl)cccc2c(=O)[nH]1)N1CC=C(c2ccc(F)cc2)CC1
|
C22H19ClFN3O2 411.864000 |
UBGFVDXPNREYFI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503610; PubChem:CID137304578
|
Local ready
Direct docking supported
|
|
E3L020965
BDB020965
|
BDBM503611
O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CC=C(c2ccc(F)cc2)CC1
|
C22H20FN3O2 377.419000 |
OVXXLTCZEHZISR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503611; PubChem:CID137289756
|
Local ready
Direct docking supported
|
|
E3L020966
BDB020966
|
BDBM503612
O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccc(F)cc2)CC1
|
C21H21FN4O2 380.423000 |
CPGPHRFTIHQLET-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503612; PubChem:CID135457269
|
Local ready
Direct docking supported
|
|
E3L020967
BDB020967
|
BDBM503613
Cn1ccc2c(=O)[nH]c(CCC(=O)N3CC=C(c4ccc(F)cc4)CC3)nc21
|
C21H21FN4O2 380.423000 |
IVINCWLIJUIQAU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM503613; PubChem:CID137304582
|
Local ready
Direct docking supported
|
|
E3L020968
BDB020968
|
BDBM511048
CO/N=c1\[nH]cnc2c1ccn2[C@@H]1O[C@H](COc2ccc3ccc(N)nc3c2)[C@@](C)(O)[C@H]1O
|
C22H24N6O5 452.471000 |
HPBVVJIUOMEVGS-XNKSBNDBSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM511048; PubChem:CID137479630
|
Local ready
Direct docking supported
|
|
E3L020969
BDB020969
|
BDBM511056
C[C@@]1(O)[C@@H]([C@H](O)c2ccc(Cl)cc2)O[C@@H](n2ccc3/c(=N/O)[nH]cnc32)[C@@H]1O
|
C18H19ClN4O5 406.826000 |
WFXAZZULKQWXBX-FOOXYVKASA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM511056; PubChem:CID137479689
|
Local ready
Direct docking supported
|
|
E3L020970
BDB020970
|
US11078205, Example 66
C[C@@]1(O)[C@@H]([C@@H](O)c2ccc(Cl)c(Cl)c2)O[C@@H](n2ccc3c(N)ncnc32)[C@@H]1O
|
C18H18Cl2N4O4 425.272000 |
NVZVVFMXEHOMQR-MIMASFHYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM511074; PubChem:CID137479680
|
Local ready
Direct docking supported
|
|
E3L020971
BDB020971
|
US11058688, Example 1
CC(=O)N1CCn2c(C3CC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
|
C23H25N7O 415.501000 |
SCONOSMUQMCGPV-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511300; PubChem:CID139530345
|
Local ready
Direct docking supported
|
|
E3L020972
BDB020972
|
US11058688, Example 2
CNC(=O)N1CCn2c(C3CC3)nc(-c3ccnc4cc(-c5cnn(C)c5)c(OC(F)(F)F)cc34)c2C1
|
C25H24F3N7O2 511.508000 |
IKYXDQOSZTUCJY-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511301; PubChem:CID139530433
|
Local ready
Direct docking supported
|
|
E3L020973
BDB020973
|
US11058688, Example 3
CNC(=O)N1CCn2c(C3CC3)nc(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)c2C1
|
C25H29F2N7O 481.551000 |
GHHNDYBIUCMZRE-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511302; PubChem:CID139530454
|
Local ready
Direct docking supported
|
|
E3L020974
BDB020974
|
US11058688, Example 4
Cn1cc(-c2nn(C)c3ccc(-c4nc(C5CCOC5)n5c4CN(C(=O)CF)CC5)cc23)cn1
|
C24H26FN7O2 463.517000 |
DNPQLQWTVARREM-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511303; PubChem:CID139530450
|
Local ready
Direct docking supported
|
|
E3L020975
BDB020975
|
US11058688, Example 5
COC(=O)N1CCn2c(C3CCOC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
|
C24H27N7O3 461.526000 |
SSCQTPBCJGRGEN-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511304; PubChem:CID139537554
|
Local ready
Direct docking supported
|
|
E3L020976
BDB020976
|
US11058688, Example 6
CNC(=O)N1CCn2c(C3CCOC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
|
C24H28N8O2 460.542000 |
MORJDRPDAGQSOG-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511305; PubChem:CID139537472
|
Local ready
Direct docking supported
|
|
E3L020977
BDB020977
|
US11058688, Example 7
CNC(=O)N1CCn2c(C3CCC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
|
C24H28N8O 444.543000 |
LECSCYACCJANGQ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511306; PubChem:CID139543436
|
Local ready
Direct docking supported
|
|
E3L020978
BDB020978
|
US11058688, Example 8
CNC(=O)N1CCn2c(C3CN(C)C3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
|
C24H29N9O 459.558000 |
GQJCPIGEHCKONP-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511307; PubChem:CID139530316
|
Local ready
Direct docking supported
|
|
E3L020979
BDB020979
|
US11058688, Example 9
CNC(=O)N1CCn2c(C3CN(C(C)=O)C3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
|
C25H29N9O2 487.568000 |
BWPUXWMHJRRMOD-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511308; PubChem:CID139530513
|
Local ready
Direct docking supported
|
|
E3L020980
BDB020980
|
BDBM511309
O=C1c2ccccc2C(=O)N1CCn1cnc(I)c1I
|
C13H9I2N3O2 493.042000 |
QMIZYTBRGFOAJK-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511309; PubChem:CID139530312
|
Local ready
Direct docking supported
|