BDBM178085 US10307413, Compound 188::US10391089, Compound 188::US10980794, Cmpd No 188::US9675614, 188

SMILES O[C@@H](CNC(=O)c1ccnc(NC2CCC2)c1)CN1CCc2ccccc2C1

InChI Key InChIKey=TWKYXZSXXXKKJU-FQEVSTJZSA-N

Data  6 IC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 178085   

TargetProtein arginine N-methyltransferase 5(Homo sapiens (Human))
Epizyme Inc

US Patent
LigandPNGBDBM178085(US10307413, Compound 188 | US10391089, Compound 18...)
Show SMILES O[C@@H](CNC(=O)c1ccnc(NC2CCC2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C22H28N4O2/c27-20(15-26-11-9-16-4-1-2-5-18(16)14-26)13-24-22(28)17-8-10-23-21(12-17)25-19-6-3-7-19/h1-2,4-5,8,10,12,19-20,27H,3,6-7,9,11,13-15H2,(H,23,25)(H,24,28)/t20-/m0/s1
Affinity DataIC50: 100nMAssay 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....More data for this Ligand-Target Pair
TargetProtein arginine N-methyltransferase 5(Homo sapiens (Human))
Epizyme Inc

US Patent
LigandPNGBDBM178085(US10307413, Compound 188 | US10391089, Compound 18...)
Show SMILES O[C@@H](CNC(=O)c1ccnc(NC2CCC2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C22H28N4O2/c27-20(15-26-11-9-16-4-1-2-5-18(16)14-26)13-24-22(28)17-8-10-23-21(12-17)25-19-6-3-7-19/h1-2,4-5,8,10,12,19-20,27H,3,6-7,9,11,13-15H2,(H,23,25)(H,24,28)/t20-/m0/s1
Affinity DataIC50: 100nMAssay 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....More data for this Ligand-Target Pair
TargetProtein arginine N-methyltransferase 5(Homo sapiens (Human))
Epizyme, Inc.

Curated by ChEMBL
LigandPNGBDBM178085(US10307413, Compound 188 | US10391089, Compound 18...)
Show SMILES O[C@@H](CNC(=O)c1ccnc(NC2CCC2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C22H28N4O2/c27-20(15-26-11-9-16-4-1-2-5-18(16)14-26)13-24-22(28)17-8-10-23-21(12-17)25-19-6-3-7-19/h1-2,4-5,8,10,12,19-20,27H,3,6-7,9,11,13-15H2,(H,23,25)(H,24,28)/t20-/m0/s1
Affinity DataIC50: 3nMAssay Description:Inhibition of PRMT5 in human Z138 cells assessed as reduction in symmetrical dimethylation of arginine containing substrate using SmD3 as substrate i...More data for this Ligand-Target Pair
TargetProtein arginine N-methyltransferase 5(Homo sapiens (Human))
Epizyme Inc

US Patent
LigandPNGBDBM178085(US10307413, Compound 188 | US10391089, Compound 18...)
Show SMILES O[C@@H](CNC(=O)c1ccnc(NC2CCC2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C22H28N4O2/c27-20(15-26-11-9-16-4-1-2-5-18(16)14-26)13-24-22(28)17-8-10-23-21(12-17)25-19-6-3-7-19/h1-2,4-5,8,10,12,19-20,27H,3,6-7,9,11,13-15H2,(H,23,25)(H,24,28)/t20-/m0/s1
Affinity DataIC50: 100nMAssay 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....More data for this Ligand-Target Pair
TargetMethylosome protein 50/Protein arginine N-methyltransferase 5(Homo sapiens (Human))
Epizyme, Inc.

Curated by ChEMBL
LigandPNGBDBM178085(US10307413, Compound 188 | US10391089, Compound 18...)
Show SMILES O[C@@H](CNC(=O)c1ccnc(NC2CCC2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C22H28N4O2/c27-20(15-26-11-9-16-4-1-2-5-18(16)14-26)13-24-22(28)17-8-10-23-21(12-17)25-19-6-3-7-19/h1-2,4-5,8,10,12,19-20,27H,3,6-7,9,11,13-15H2,(H,23,25)(H,24,28)/t20-/m0/s1
Affinity DataIC50: 4nMAssay Description:Inhibition of human full length FLAG-tagged PRMT5/human His6-tagged MEP50 expressed in baculovirus-infected Sf9 cells assessed as reduction in tritiu...More data for this Ligand-Target Pair
TargetMethylosome protein 50/Protein arginine N-methyltransferase 5(Homo sapiens (Human))
Epizyme, Inc.

Curated by ChEMBL
LigandPNGBDBM178085(US10307413, Compound 188 | US10391089, Compound 18...)
Show SMILES O[C@@H](CNC(=O)c1ccnc(NC2CCC2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C22H28N4O2/c27-20(15-26-11-9-16-4-1-2-5-18(16)14-26)13-24-22(28)17-8-10-23-21(12-17)25-19-6-3-7-19/h1-2,4-5,8,10,12,19-20,27H,3,6-7,9,11,13-15H2,(H,23,25)(H,24,28)/t20-/m0/s1
Affinity DataIC50: 100nMAssay 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....More data for this Ligand-Target Pair