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BDBM50523638 CHEMBL4470815::US10709709, Example 200

SMILES: Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(OC(F)F)c(F)c3CCNCc23)[C@@H](O)[C@H]1O

InChI Key: InChIKey=PJEJAJGWAXXONO-PEFDPPPMSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50523638   
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))
BDBM50523638
PNG
(CHEMBL4470815 | US10709709, Example 200)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(OC(F)F)c(F)c3CCNCc23)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H23F3N4O4/c1-10-11-3-5-29(21(11)28-9-27-10)14-6-17(20(31)19(14)30)32-15-7-16(33-22(24)25)18(23)12-2-4-26-8-13(12)15/h3,5,7,9,14,17,19-20,22,26,30-31H,2,4,6,8H2,1H3/t14-,17+,19+,20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Prelude Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of PRMT5 (unknown origin)


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))
BDBM50523638
PNG
(CHEMBL4470815 | US10709709, Example 200)
Show SMILES Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(OC(F)F)c(F)c3CCNCc23)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H23F3N4O4/c1-10-11-3-5-29(21(11)28-9-27-10)14-6-17(20(31)19(14)30)32-15-7-16(33-22(24)25)18(23)12-2-4-26-8-13(12)15/h3,5,7,9,14,17,19-20,22,26,30-31H,2,4,6,8H2,1H3/t14-,17+,19+,20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired a...


US Patent US10709709 (2020)

More data for this
Ligand-Target Pair