| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L063001
BDB063001
|
2-Amino-6-bromo-1,3-benzothiazol-4-ol
Nc1nc2c(O)cc(Br)cc2s1
|
C7H5BrN2OS 245.101000 |
BDPNQSDLTBROFQ-UHFFFAOYSA-N | Q96L73 | Histone-lysine N-methyltransferase, H3 lysine-36 specific |
BindingDB, PubChem
BindingDB:BDBM50608076; PubChem:CID138682563
|
Local ready
Direct docking supported
|
|
E3L063002
BDB063002
|
2-Amino-6-(2-methylaziridin-1-yl)benzo[d]thiazol-4-ol
CC1CN1c1cc(O)c2nc(N)sc2c1
|
C10H11N3OS 221.285000 |
PHBIAWCGMOCBGF-UHFFFAOYSA-N | O96028, Q96L73, Q9BZ95 | Histone-lysine N-methyltransferase, H3 lysine-36 specific, Histone-lysine N-methyltransferase NSD2, Histone-lysine N-methyltransferase NSD3 |
BindingDB, PubChem
BindingDB:BDBM50608077; PubChem:CID138713923
|
Local ready
Direct docking supported
|
|
E3L063003
BDB063003
|
5,7-Dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine
Cc1cc(C)c2c(n1)NCCC2
|
C10H14N2 162.236000 |
DXIRHDQUVVQLGI-UHFFFAOYSA-N | Q96T88 | E3 ubiquitin-protein ligase UHRF1 |
BindingDB, PubChem
BindingDB:BDBM50608078; PubChem:CID12378181
|
Local ready
Direct docking supported
|
|
E3L063004
BDB063004
|
2,4-Dimethylpyridine
Cc1ccnc(C)c1
|
C7H9N 107.156000 |
JYYNAJVZFGKDEQ-UHFFFAOYSA-N | Q96T88 | E3 ubiquitin-protein ligase UHRF1 |
BindingDB, PubChem
BindingDB:BDBM50608079; PubChem:CID7936
|
Local ready
Direct docking supported
|
|
E3L063005
BDB063005
|
BDBM50608080
Cc1ccc2c(-c3c(-c4c(C)cc(CN)cc4C)ncn3C)ccnc2c1
|
C23H24N4 356.473000 |
ARHSYLADQLXDPH-UHFFFAOYSA-N | Q9BZ95 | Histone-lysine N-methyltransferase NSD3 |
BindingDB, PubChem
BindingDB:BDBM50608080; PubChem:CID171354031
|
Local ready
Direct docking supported
|
|
E3L063006
BDB063006
|
5-Methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-one
Cc1cc(=O)n(C2CCNCC2)nc1-c1ccccc1
|
C16H19N3O 269.348000 |
TWZULJZXADJJPI-UHFFFAOYSA-N | Q9BZ95 | Histone-lysine N-methyltransferase NSD3 |
BindingDB, PubChem
BindingDB:BDBM50608081; PubChem:CID66510155
|
Local ready
Direct docking supported
|
|
E3L063007
BDB063007
|
1-Methyl-4-phenyl-5-(4-pyridyl)imidazole
Cn1cnc(-c2ccccc2)c1-c1ccncc1
|
C15H13N3 235.290000 |
NSJCXUONRHOYTD-UHFFFAOYSA-N | Q9BZ95 | Histone-lysine N-methyltransferase NSD3 |
BindingDB, PubChem
BindingDB:BDBM50608082; PubChem:CID18771483
|
Local ready
Direct docking supported
|
|
E3L063008
BDB063008
|
BDBM50608083
Clc1ccc(OCCCNC2=NCCN2)c(Cl)c1
|
C12H15Cl2N3O 288.178000 |
XIKGAVKOOOYGIY-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50608083; PubChem:CID53593645
|
Local ready
Direct docking supported
|
|
E3L063009
BDB063009
|
BDBM50608291
COc1ccc(C[C@@H](CC(=O)CC(C)(C)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)CC(CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
|
C37H58N4O6 654.893000 |
XGJIQFLQIRKWDZ-AKVUPKOTSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50608291
|
Local ready
Direct docking supported
|
|
E3L063010
BDB063010
|
BDBM50608292
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(Cc1nccs1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)N1CCN(C)CC1
|
C35H55N5O6S2 705.988000 |
SWRMRRVRHGMRBA-YAQBETDZSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50608292
|
Local ready
Direct docking supported
|
|
E3L063011
BDB063011
|
BDBM50608358
CC(N)C(=O)NC1CSCc2cc3cc(c2)CSC(C(=O)NC(C)C(N)=O)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(Cc2c[nH]cn2)NC(=O)C(C(C)O)NC(=O)C(CSC3)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C2CCCN2C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(=N)N)NC1=O
|
C82H115N27O19S3 1879.193000 |
SJBURJCQSMMNIC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM50608358
|
Local ready
Direct docking supported
|
|
E3L063012
BDB063012
|
BDBM50608359
CC(=O)NC1CSCc2cc3cc(c2)CSC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C(Cc2c[nH]cn2)NCC(C)NC(=O)C(CSC3)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C2CCN2C(=O)C(Cc2ccccc2)NC(=O)C(CO)NC1=O
|
C74H102N20O18S3 1655.953000 |
NATBJNOLJXJRBB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM50608359
|
Local ready
Direct docking supported
|
|
E3L063013
BDB063013
|
BDBM50608360
CC(N)C(=O)NC1CSCc2cc3cc(c2)CSCC(C(=O)NC(C)C(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)C)NC(=O)C(CC(N)=O)NC(=O)C(CSC3)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(Cc2ccccc2)NC1=O
|
C57H87N17O12S3 1298.631000 |
KECRAMBCZUQJGL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM50608360
|
Local ready
Direct docking supported
|
|
E3L063014
BDB063014
|
BDBM50608424
O=C(NCCc1ccc(Cl)cc1)c1ccc2nc3c(c(Cl)c2c1)CCCC3
|
C22H20Cl2N2O 399.321000 |
FXMOERHQKDDTCC-UHFFFAOYSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM50608424; PubChem:CID171351204
|
Local ready
Direct docking supported
|
|
E3L063015
BDB063015
|
BDBM50609271
Cc1cnc2c(c1)c(Nc1cnccc1C(=O)O)cn2CCN1CCC(F)(F)CC1
|
C21H23F2N5O2 415.444000 |
KDYQCOVJKZYFKX-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50609271; PubChem:CID171358579
|
Local ready
Direct docking supported
|
|
E3L063016
BDB063016
|
BDBM50609272
O=C(O)c1ccnc(NCc2cccc(F)c2)c1
|
C13H11FN2O2 246.241000 |
YFUUKCJIHIACCK-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50609272; PubChem:CID28970945
|
Local ready
Direct docking supported
|
|
E3L063017
BDB063017
|
2-(Oxaloamino)-2-oxoacetic acid
O=C(O)C(=O)NC(=O)C(=O)O
|
C4H3NO6 161.069000 |
YIHINPWRGAKPRC-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50609273; PubChem:CID85641767
|
Local ready
Direct docking supported
|
|
E3L063018
BDB063018
|
BDBM50609274
CC(C)(CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCOCC1
|
C24H28N4O2 404.514000 |
WBWADLLKNGUCBS-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50609274; PubChem:CID8933715
|
Local ready
Direct docking supported
|
|
E3L063019
BDB063019
|
BDBM50609275
C=CCOc1c(CNn2cnnc2O)cccc1OC
|
C13H16N4O3 276.296000 |
ULWYKBXMZDRYQX-UHFFFAOYSA-N | P29375, P41229 | Lysine-specific demethylase 5C, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50609275; PubChem:CID171356704
|
Local ready
Direct docking supported
|
|
E3L063020
BDB063020
|
BDBM50609276
C=c1c(C(N)c2ccc(C)cc2)cc(=C)c2[nH]c(C)nc12
|
C18H19N3 277.371000 |
KYDKDHYQJZTWCN-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50609276; PubChem:CID171356042
|
Local ready
Direct docking supported
|