BindingDB logo
myBDB logout

BDBM50523632 CHEMBL4454122

SMILES: Cl.Nc1ncnc2n(ccc12)[C@@H]1O[C@H](CN2CC(F)(F)CC22CCNCC2)[C@@H](O)[C@H]1O

InChI Key: InChIKey=OOYJVUIGFXMRTL-SZTAYTFXSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50523632   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50523632
PNG
(CHEMBL4454122)
Show SMILES Cl.Nc1ncnc2n(ccc12)[C@@H]1O[C@H](CN2CC(F)(F)CC22CCNCC2)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H26F2N6O3.ClH/c20-19(21)8-18(2-4-23-5-3-18)26(9-19)7-12-13(28)14(29)17(30-12)27-6-1-11-15(22)24-10-25-16(11)27;/h1,6,10,12-14,17,23,28-29H,2-5,7-9H2,(H2,22,24,25);1H/t12-,13-,14-,17-;/m1./s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.70n/an/an/an/an/an/a



Prelude Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of PRMT5 (unknown origin) assessed as reduction in SAH formation using histone H2A and SAM incubated for 60 mins by high throughput mass s...


Bioorg Med Chem Lett 29: 1264-1269 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.042
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50523632
PNG
(CHEMBL4454122)
Show SMILES Cl.Nc1ncnc2n(ccc12)[C@@H]1O[C@H](CN2CC(F)(F)CC22CCNCC2)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H26F2N6O3.ClH/c20-19(21)8-18(2-4-23-5-3-18)26(9-19)7-12-13(28)14(29)17(30-12)27-6-1-11-15(22)24-10-25-16(11)27;/h1,6,10,12-14,17,23,28-29H,2-5,7-9H2,(H2,22,24,25);1H/t12-,13-,14-,17-;/m1./s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Prelude Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of PRMT5 in human A549 cells assessed as reduction in sDMA production incubated for 48 hrs by immunohistochemistry analysis


Bioorg Med Chem Lett 29: 1264-1269 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.042
More data for this
Ligand-Target Pair