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BDBM50523629 CHEMBL4564327

SMILES: Cc1cnc2cc(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)c(Cl)cn12

InChI Key: InChIKey=IXQKPZSMAFSERF-QVSURHGTSA-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 = 50523629   
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))
BDBM50523629
PNG
(CHEMBL4564327)
Show SMILES Cc1cnc2cc(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)c(Cl)cn12 |r|
Show InChI InChI=1S/C21H23ClN6O2/c1-11-8-24-17-7-12(15(22)9-28(11)17)2-3-13-6-16(19(30)18(13)29)27-5-4-14-20(23)25-10-26-21(14)27/h4-5,7-10,13,16,18-19,29-30H,2-3,6H2,1H3,(H2,23,25,26)/t13-,16+,18+,19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.30n/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 after 48 hrs by Hoechst Stain/HCS CellMask Deep Red Stain based immu...


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


Article DOI: 10.1016/j.bmcl.2019.03.042
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50523629
PNG
(CHEMBL4564327)
Show SMILES Cc1cnc2cc(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)c(Cl)cn12 |r|
Show InChI InChI=1S/C21H23ClN6O2/c1-11-8-24-17-7-12(15(22)9-28(11)17)2-3-13-6-16(19(30)18(13)29)27-5-4-14-20(23)25-10-26-21(14)27/h4-5,7-10,13,16,18-19,29-30H,2-3,6H2,1H3,(H2,23,25,26)/t13-,16+,18+,19-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.160n/an/an/an/an/an/a



Prelude Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of full-length human N-terminal FLAG-tagged PRMT5/full length N-terminal His6-tagged MEP50 (unknown origin) expressed in baculovirus infec...


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


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