| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L035001
BDB035001
|
US20240368153, Example 8-2
Nc1nc2cc(CNC(=O)c3ccncn3)[nH]c2cc1Br
|
C13H11BrN6O 347.176000 |
YKTLILLSZWVEMX-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM703928; PubChem:CID165416399
|
Local ready
Direct docking supported
|
|
E3L035002
BDB035002
|
6-Methyl-1H-pyrrolo[3,2-b]pyridin-5-amine
Cc1cc2[nH]ccc2nc1N
|
C8H9N3 147.181000 |
LBMHFUAOAMCZOE-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM703929; PubChem:CID142405777
|
Local ready
Direct docking supported
|
|
E3L035003
BDB035003
|
US20240368153, Example 9-2
Nc1nc2cc[nH]c2cc1C1CC1
|
C10H11N3 173.219000 |
LDVSIUFJJMVFBM-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM703930; PubChem:CID165416403
|
Local ready
Direct docking supported
|
|
E3L035004
BDB035004
|
6-(Trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-5-amine
Nc1nc2cc[nH]c2cc1C(F)(F)F
|
C8H6F3N3 201.151000 |
OOMWJOPTHRPGAN-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM703931; PubChem:CID166460415
|
Local ready
Direct docking supported
|
|
E3L035005
BDB035005
|
US20240368153, Example 11-1
Nc1ccc2c(n1)CN(c1cccnc1)CC2
|
C13H14N4 226.283000 |
ILYLOROMTHLRFK-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM703932; PubChem:CID166460441
|
Local ready
Direct docking supported
|
|
E3L035006
BDB035006
|
US20240368153, Example 11-2
Nc1ccc2c(n1)CN(c1cncc(Oc3ccccc3)c1)CC2
|
C19H18N4O 318.380000 |
LXCWBXOJOCUQDX-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM703933; PubChem:CID166460559
|
Local ready
Direct docking supported
|
|
E3L035007
BDB035007
|
US20240368153, Example 11-3
Cn1cc(N2CCc3cc(F)c(N)nc3C2)cn1
|
C12H14FN5 247.277000 |
FYGXXGYMZFMPFD-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM703934; PubChem:CID166460478
|
Local ready
Direct docking supported
|
|
E3L035008
BDB035008
|
US20240368153, Example 11-4
Cn1ncc(N2CCc3cc(F)c(N)nc3C2)c1-c1ccccc1C#N
|
C19H17FN6 348.385000 |
KNQYOZMHHMDGOW-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM703935; PubChem:CID166460425
|
Local ready
Direct docking supported
|
|
E3L035009
BDB035009
|
US20240368153, Example 12-1
Nc1nc2cc(NC(=O)c3ccccc3)[nH]c2cc1Br
|
C14H11BrN4O 331.173000 |
GXYOUAQZIMSARE-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM703936; PubChem:CID172487059
|
Local ready
Direct docking supported
|
|
E3L035010
BDB035010
|
US20240368153, Example 12-2
Cc1cc2[nH]c(NC(=O)c3ccccc3)cc2nc1N
|
C15H14N4O 266.304000 |
OXXGGMFHJBIYCE-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM703937; PubChem:CID166460542
|
Local ready
Direct docking supported
|
|
E3L035011
BDB035011
|
US20240368153, Example 12-3
Nc1ccc2[nH]c(NC(=O)c3ccccc3)cc2n1
|
C14H12N4O 252.277000 |
CFZZOSGNZOMVQC-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM703938; PubChem:CID166460401
|
Local ready
Direct docking supported
|
|
E3L035012
BDB035012
|
US20240368153, Example 12-4
Nc1nc2cc(NC(=O)c3ccccc3F)[nH]c2cc1Br
|
C14H10BrFN4O 349.163000 |
NJFYZDPJAWQZJJ-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM703939; PubChem:CID166460534
|
Local ready
Direct docking supported
|
|
E3L035013
BDB035013
|
US20240368153, Example 13-1
Cc1cc2[nH]c(-n3cncn3)cc2nc1N
|
C10H10N6 214.232000 |
UKYQXCPOQPPYGX-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM703940; PubChem:CID166460504
|
Local ready
Direct docking supported
|
|
E3L035014
BDB035014
|
US20240368153, Example 13-2
Cc1cc2[nH]c(NC=NC(=N)Br)cc2nc1N
|
C10H11BrN6 295.144000 |
VJNCWUGHEUEDTL-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM703941; PubChem:CID172487072
|
Local ready
Direct docking supported
|
|
E3L035015
BDB035015
|
BDBM703942
C=C(Br)N=CN(C)c1cc2nc(N)c(C)cc2[nH]1
|
C12H14BrN5 308.183000 |
APWSVQMFFQSUIV-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB
BindingDB:BDBM703942
|
Local ready
Direct docking supported
|
|
E3L035016
BDB035016
|
US20240368153, Example 13-4
Cc1cc2[nH]c(N3CC(=O)N(C)C3=O)cc2nc1N
|
C12H13N5O2 259.269000 |
ORWCOAICGIORGO-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM703943; PubChem:CID166460426
|
Local ready
Direct docking supported
|
|
E3L035017
BDB035017
|
US20240368153, Example 13-5
Cc1cc2[nH]c(-n3ccn(C)c3=O)cc2nc1N
|
C12H13N5O 243.270000 |
NLIADBIQDIOLTN-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM703944; PubChem:CID172879049
|
Local ready
Direct docking supported
|
|
E3L035018
BDB035018
|
US20240368153, Example 13-6
Cc1cc2[nH]c(-n3cc[nH]c3=O)cc2nc1N
|
C11H11N5O 229.243000 |
LRTOGUGIIIXYGV-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM703945; PubChem:CID172879050
|
Local ready
Direct docking supported
|
|
E3L035019
BDB035019
|
US20240368153, Example 13-7
Cc1cc2c(nc1N)C=C(N1CC(=O)NC1=O)C2
|
C12H12N4O2 244.254000 |
ZLEBEWQEGNKZSN-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM703946; PubChem:CID172879051
|
Local ready
Direct docking supported
|
|
E3L035020
BDB035020
|
US20240368153, Example 14-1
Cc1cc2[nH]c(CN3C(=O)c4ccccc4C3=O)cc2nc1N
|
C17H14N4O2 306.325000 |
KBHCOJWCCIBTHS-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM703947; PubChem:CID166460507
|
Local ready
Direct docking supported
|