| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L029601
BDB029601
|
BDBM595640
O=C1c2cc(Nc3ccnnc3)ncc2OCCN1CC(O)CN1CCc2ccccc2C1
|
C24H26N6O3 446.511000 |
GTHDKUZRHRXYTE-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM595640; PubChem:CID139467719
|
Local ready
Direct docking supported
|
|
E3L029602
BDB029602
|
BDBM595641
O=C1c2nc(Nc3ccnnc3)ccc2OCCN1CC(O)CN1CCc2ccccc2C1
|
C24H26N6O3 446.511000 |
XZFUFOLVHMSXFK-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM595641; PubChem:CID139467905
|
Local ready
Direct docking supported
|
|
E3L029603
BDB029603
|
BDBM595642
O=C1c2cc(Nc3ccnnc3)c(F)cc2OCCN1CC(O)CN1CCc2ccccc2C1
|
C25H26FN5O3 463.513000 |
RTYLGFBFEFKSEE-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM595642; PubChem:CID139467962
|
Local ready
Direct docking supported
|
|
E3L029604
BDB029604
|
BDBM595643
O=C1c2cc(Nc3ccnnc3)cc(F)c2OCCN1CC(O)CN1CCc2ccccc2C1
|
C25H26FN5O3 463.513000 |
MLHRTWKNJOQXHD-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM595643; PubChem:CID139467838
|
Local ready
Direct docking supported
|
|
E3L029605
BDB029605
|
BDBM595644
CC(=O)N1CCC(Nc2ccc3c(c2)C(=O)N(C[C@H](O)CN2CCc4ccccc4C2)CCO3)CC1
|
C28H36N4O4 492.620000 |
HKYKCMHDQALMNQ-RUZDIDTESA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM595644; PubChem:CID139467930
|
Local ready
Direct docking supported
|
|
E3L029606
BDB029606
|
BDBM595645
CC(=O)N1CCC(Nc2ccc3c(c2)C(=O)N(C[C@@H](O)CN2CCc4ccccc4C2)CCO3)CC1
|
C28H36N4O4 492.620000 |
HKYKCMHDQALMNQ-VWLOTQADSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM595645; PubChem:CID139468007
|
Local ready
Direct docking supported
|
|
E3L029607
BDB029607
|
BDBM595646
CC(=O)N1CC2(CC(Nc3ccc4c(c3)C(=O)N(CC(O)CN3CCc5ccccc5C3)CCO4)C2)C1
|
C29H36N4O4 504.631000 |
BWWMBLSGCDRUJF-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM595646; PubChem:CID139467852
|
Local ready
Direct docking supported
|
|
E3L029608
BDB029608
|
BDBM595647
CC(=O)N1C2CCC1CC(Nc1ccc3c(c1)C(=O)N(CC(O)CN1CCc4ccccc4C1)CCO3)C2
|
C30H38N4O4 518.658000 |
NKXXIBBZIQBPSY-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM595647; PubChem:CID153342893
|
Local ready
Direct docking supported
|
|
E3L029609
BDB029609
|
BDBM595648
CC(=O)N1CC2C(C1)C2Nc1ccc2c(c1)C(=O)N(CC(O)CN1CCc3ccccc3C1)CCO2
|
C28H34N4O4 490.604000 |
OCUYGJJNPUBHBI-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM595648; PubChem:CID139483738
|
Local ready
Direct docking supported
|
|
E3L029610
BDB029610
|
BDBM595649
CC(=O)N1CCC(Nc2ccc3c(c2)C(=O)N(C[C@H](O)CN2CCc4ccccc4C2)C2CC3C2)CC1
|
C30H38N4O3 502.659000 |
JXLRQFLREJBDHU-NFSDUTMWSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM595649; PubChem:CID139467989
|
Local ready
Direct docking supported
|
|
E3L029611
BDB029611
|
BDBM595650
CC(=O)N1CCC(Nc2ccc3c(c2)C(=O)N(C[C@@H](O)CN2CCc4ccccc4C2)C2CC3C2)CC1
|
C30H38N4O3 502.659000 |
JXLRQFLREJBDHU-YTZIBCIGSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM595650; PubChem:CID139467973
|
Local ready
Direct docking supported
|
|
E3L029612
BDB029612
|
BDBM595675
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4C#N)CC3)cc2[nH]c1=O
|
C23H25N7O2 431.500000 |
PJBJLVKAVWLYSZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595675; PubChem:CID166021865
|
Local ready
Direct docking supported
|
|
E3L029613
BDB029613
|
BDBM595678
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)[C@H](C)C3)cc2[nH]c1=O
|
C23H28N6O2 420.517000 |
FADLKXISGTUEOR-OAHLLOKOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595678; PubChem:CID166021790
|
Local ready
Direct docking supported
|
|
E3L029614
BDB029614
|
BDBM595686
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)[C@H]4C[C@H]43)cc2[nH]c1=O
|
C23H26N6O2 418.501000 |
PVOOFJMJDHPMBT-RTWAWAEBSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595686; PubChem:CID166088848
|
Local ready
Direct docking supported
|
|
E3L029615
BDB029615
|
BDBM595688
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4C#N)[C@H](C)C3)cc2[nH]c1=O
|
C24H27N7O2 445.527000 |
UQXREIKQEMWFLV-OAHLLOKOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595688; PubChem:CID166021775
|
Local ready
Direct docking supported
|
|
E3L029616
BDB029616
|
BDBM595689
CCc1cc2ncc(CN3CCN(c4cnc(C(=O)NC)c(F)c4)CC3)cc2[nH]c1=O
|
C22H25FN6O2 424.480000 |
JHSRPZWVYSMIQK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595689; PubChem:CID166021887
|
Local ready
Direct docking supported
|
|
E3L029617
BDB029617
|
BDBM595692
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4C4CC4)CC3)cc2[nH]c1=O
|
C25H30N6O2 446.555000 |
OUIQXOACDZHYSQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595692; PubChem:CID166021801
|
Local ready
Direct docking supported
|
|
E3L029618
BDB029618
|
BDBM595700
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)c(F)c4)CC3)cc2[nH]c1=O
|
C23H26FN5O2 423.492000 |
DSFJTJDYRLFLRG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595700; PubChem:CID166021889
|
Local ready
Direct docking supported
|
|
E3L029619
BDB029619
|
Parp1-IN-21
CCc1cc2ncc(CN3CC=C(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O
|
C23H25N5O2 403.486000 |
BOKCRBOZYPDNIC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595701; PubChem:CID166021813
|
Local ready
Direct docking supported
|
|
E3L029620
BDB029620
|
BDBM595702
CCc1cc2ccc(CN3CCN(c4ccc(C#N)cn4)CC3)cc2[nH]c1=O
|
C22H23N5O 373.460000 |
STXKGACBGMUSTM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595702; PubChem:CID25241834
|
Local ready
Direct docking supported
|