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BDBM177908 US10307413, Compound 162::US9675614, 162

SMILES: CS(=O)(=O)N1CCC(C1)Oc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1

InChI Key: InChIKey=OJXFLCGCCYKKAV-UHFFFAOYNA-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 = 177908   
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
PRMT5/MeP50


(Homo sapiens (Human))
BDBM177908
PNG
(US10307413, Compound 162 | US9675614, 162)
Show SMILES CS(=O)(=O)N1CCC(C1)Oc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1/C24H31N3O5S/c1-33(30,31)27-12-10-23(17-27)32-22-8-4-7-19(13-22)24(29)25-14-21(28)16-26-11-9-18-5-2-3-6-20(18)15-26/h2-8,13,21,23,28H,9-12,14-17H2,1H3,(H,25,29)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM177908
PNG
(US10307413, Compound 162 | US9675614, 162)
Show SMILES CS(=O)(=O)N1CCC(C1)Oc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1/C24H31N3O5S/c1-33(30,31)27-12-10-23(17-27)32-22-8-4-7-19(13-22)24(29)25-14-21(28)16-26-11-9-18-5-2-3-6-20(18)15-26/h2-8,13,21,23,28H,9-12,14-17H2,1H3,(H,25,29)
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US9675614 (2017)


Article DOI: 10.1021/jm970524i
BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair