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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Methylosome protein 50/Protein arginine N-methyltransferase 5' and Ligand = 'BDBM435525'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM435525
PNG
((2R,3S,4R,5R)-2-(((2-amino-3- bromoquinolin-7-yl)o...)
Show SMILES C[C@@]1(O)[C@@H](COc2ccc3cc(Br)c(N)nc3c2)O[C@H]([C@@H]1O)n1ccc2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H21BrN6O4/c1-21(30)15(8-31-11-3-2-10-6-13(22)18(24)27-14(10)7-11)32-20(16(21)29)28-5-4-12-17(23)25-9-26-19(12)28/h2-7,9,15-16,20,29-30H,8H2,1H3,(H2,24,27)(H2,23,25,26)/t15-,16+,20-,21-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (50 mM Tris-HCl, pH 8.5,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2N58QJ4
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM435525
PNG
((2R,3S,4R,5R)-2-(((2-amino-3- bromoquinolin-7-yl)o...)
Show SMILES C[C@@]1(O)[C@@H](COc2ccc3cc(Br)c(N)nc3c2)O[C@H]([C@@H]1O)n1ccc2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H21BrN6O4/c1-21(30)15(8-31-11-3-2-10-6-13(22)18(24)27-14(10)7-11)32-20(16(21)29)28-5-4-12-17(23)25-9-26-19(12)28/h2-7,9,15-16,20,29-30H,8H2,1H3,(H2,24,27)(H2,23,25,26)/t15-,16+,20-,21-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/an/an/a



Prelude Therapeutics Incorporated

US Patent


Assay Description
Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (50 mM Tris-HCl, pH 8.5,...


US Patent US10570140 (2020)


BindingDB Entry DOI: 10.7270/Q2WM1GTT
More data for this
Ligand-Target Pair