| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L018121
BDB018121
|
BDBM435436
Cc1cccc2c(=O)[nH]c(C[C@@H](C)CC(=O)N3CCC(C(=O)c4cccc(C(=O)O)c4)CC3)nc12
|
C27H29N3O5 475.545000 |
BCSYLIBZTSVMJI-MRXNPFEDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435436; PubChem:CID137239844
|
Local ready
Direct docking supported
|
|
E3L018122
BDB018122
|
BDBM435437
Cc1cccc2c(=O)[nH]c(C[C@H](C)CC(=O)N3CCC(C(=O)c4cccc(C(=O)O)c4)CC3)nc12
|
C27H29N3O5 475.545000 |
BCSYLIBZTSVMJI-INIZCTEOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435437; PubChem:CID137239797
|
Local ready
Direct docking supported
|
|
E3L018123
BDB018123
|
BDBM435439
Cc1cc(F)cc2c(=O)[nH]c(C[C@H](C)CC(=O)N3CCC(C(=O)c4cccc(C(=O)O)c4)CC3)nc12
|
C27H28FN3O5 493.535000 |
MKFFPXHRRSVHGY-HNNXBMFYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435439; PubChem:CID137239822
|
Local ready
Direct docking supported
|
|
E3L018124
BDB018124
|
BDBM435441
Cn1cc(C(=O)C2CCN(C(=O)CC(C)(C)Cc3cc4ccccc4c(=O)[nH]3)CC2)cn1
|
C25H30N4O3 434.540000 |
SWIOCYMLKFHIEX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435441; PubChem:CID129104029
|
Local ready
Direct docking supported
|
|
E3L018125
BDB018125
|
BDBM435442
C[C@H](CC(=O)N1CCC(C(=O)c2cnn(C)c2)CC1)Cc1cc2ccccc2c(=O)[nH]1
|
C24H28N4O3 420.513000 |
YFRRHPBZXLBANM-INIZCTEOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435442; PubChem:CID129103963
|
Local ready
Direct docking supported
|
|
E3L018126
BDB018126
|
BDBM435443
C[C@@H](CC(=O)N1CCC(C(=O)c2cnn(C)c2)CC1)Cc1cc2ccccc2c(=O)[nH]1
|
C24H28N4O3 420.513000 |
YFRRHPBZXLBANM-MRXNPFEDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435443; PubChem:CID129104025
|
Local ready
Direct docking supported
|
|
E3L018127
BDB018127
|
BDBM435444
CC(C)(CC(=O)N1CCC(C(=O)c2ccc(C(=O)O)cc2)CC1)Cc1cc2ccccc2c(=O)[nH]1
|
C28H30N2O5 474.557000 |
ZJNATVSUTRSLJP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435444; PubChem:CID129103990
|
Local ready
Direct docking supported
|
|
E3L018128
BDB018128
|
BDBM435445
CC(C)(CC(=O)N1CCC(C(=O)c2cccc(C(=O)O)c2)CC1)Cc1cc2ccccc2c(=O)[nH]1
|
C28H30N2O5 474.557000 |
QKUQIWILQMTNRG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435445; PubChem:CID129104021
|
Local ready
Direct docking supported
|
|
E3L018129
BDB018129
|
US10570140, Example 1
C[C@@]1(O)[C@@H](COc2ccc3ccc(N)nc3c2)O[C@@H](n2ccc3c(N)ncnc32)[C@@H]1O
|
C21H22N6O4 422.445000 |
LITUSLGKCXVKPY-ZHFAOOELSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM435509; PubChem:CID137479646
|
Local ready
Direct docking supported
|
|
E3L018130
BDB018130
|
US10570140, Example 2
Nc1ccc2ccc(OC[C@H]3O[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@]3(O)C(F)(F)F)cc2n1
|
C21H19F3N6O4 476.415000 |
RPTKDLSRYWBUPV-HIBPSGHXSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM435516; PubChem:CID137479727
|
Local ready
Direct docking supported
|
|
E3L018131
BDB018131
|
US10570140, Example 3
C#C[C@@]1(O)[C@@H](COc2ccc3ccc(N)nc3c2)O[C@@H](n2ccc3c(N)ncnc32)[C@@H]1O
|
C22H20N6O4 432.440000 |
HLGUJTSUABXTJI-XNKSBNDBSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM435518; PubChem:CID137479635
|
Local ready
Direct docking supported
|
|
E3L018132
BDB018132
|
US10570140, Example 4
C=C[C@@]1(O)[C@@H](COc2ccc3ccc(N)nc3c2)O[C@@H](n2ccc3c(N)ncnc32)[C@@H]1O
|
C22H22N6O4 434.456000 |
MWFLCEUDWRURTE-XNKSBNDBSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM435520; PubChem:CID137479699
|
Local ready
Direct docking supported
|
|
E3L018133
BDB018133
|
US10570140, Example 6
C[C@@]1(O)[C@@H](COc2ccc3ccc(N)nc3c2)O[C@@H](n2cc(F)c3c(N)ncnc32)[C@@H]1O
|
C21H21FN6O4 440.435000 |
XNAPHTQOZUJCQT-GYPMPWGGSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM435523; PubChem:CID137479638
|
Local ready
Direct docking supported
|
|
E3L018134
BDB018134
|
US10570140, Example 10
Cc1ncnc2c1ccn2[C@@H]1O[C@H](COc2ccc3ccc(N)nc3c2)[C@@](C)(O)[C@H]1O
|
C22H23N5O4 421.457000 |
ARLUXFUKOHIWIA-HGIWEUDGSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM435524; PubChem:CID137479745
|
Local ready
Direct docking supported
|
|
E3L018135
BDB018135
|
US10570140, Example 12
C[C@@]1(O)[C@@H](COc2ccc3cc(Br)c(N)nc3c2)O[C@@H](n2ccc3c(N)ncnc32)[C@@H]1O
|
C21H21BrN6O4 501.341000 |
JZXUWFPUMKZMTA-VAKZPMALSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM435525; PubChem:CID137479628
|
Local ready
Direct docking supported
|
|
E3L018136
BDB018136
|
US10570140, Example 17
CSC[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@]1(C)O
|
C13H18N4O3S 310.379000 |
LQQSOCLYTRMQNW-OTMMVIPVSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM435526; PubChem:CID137479679
|
Local ready
Direct docking supported
|
|
E3L018137
BDB018137
|
US10570140, Example 19
COC[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@]1(C)O
|
C13H18N4O4 294.311000 |
HRQWBNVMWFKDPT-OTMMVIPVSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM435532; PubChem:CID137479716
|
Local ready
Direct docking supported
|
|
E3L018138
BDB018138
|
US10570140, Example 20
C[C@@]1(O)[C@@H](COc2ccccc2)O[C@@H](n2ccc3c(N)ncnc32)[C@@H]1O
|
C18H20N4O4 356.382000 |
SSTFLTZBHMPENP-LTCOOKNTSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM435533; PubChem:CID137479632
|
Local ready
Direct docking supported
|
|
E3L018139
BDB018139
|
US10570140, Example 21
C[C@@]1(O)[C@@H](COc2cccc(NC(N)=O)c2)O[C@@H](n2ccc3c(N)ncnc32)[C@@H]1O
|
C19H22N6O5 414.422000 |
HZPPOHRKLQAJFF-QOIYZWAUSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM435540; PubChem:CID137479664
|
Local ready
Direct docking supported
|
|
E3L018140
BDB018140
|
US10570140, Example 22
C[C@@]1(O)[C@@H](COc2cccc(CN)c2)O[C@@H](n2ccc3c(N)ncnc32)[C@@H]1O
|
C19H23N5O4 385.424000 |
DDLFJXIBUSNTPF-WTLGNFPFSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM435541; PubChem:CID137479708
|
Local ready
Direct docking supported
|