BDBM336999 US9745291, Compound 269::US9745291, Compound 45::US9765068, Compound 45

SMILES: O[C@H](CNC(=O)COc1cccc2cccnc12)CN1CCc2ccccc2C1

InChI Key: InChIKey=ZVCIZCPAJITPQB-HXUWFJFHSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 336999   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
PRMT5/MEP50 Enzyme (Homo sapiens (Human))	BDBM336999 (US9745291, Compound 269 | US9745291, Compound 45 |...) Show SMILES O[C@H](CNC(=O)COc1cccc2cccnc12)CN1CCc2ccccc2C1 |r| Show InChI InChI=1S/C23H25N3O3/c27-20(15-26-12-10-17-5-1-2-6-19(17)14-26)13-25-22(28)16-29-21-9-3-7-18-8-4-11-24-23(18)21/h1-9,11,20,27H,10,12-16H2,(H,25,28)/t20-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/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 US9745291 (2017) BindingDB Entry DOI: 10.7270/Q2J1058K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM336999 (US9745291, Compound 269 | US9745291, Compound 45 |...) Show SMILES O[C@H](CNC(=O)COc1cccc2cccnc12)CN1CCc2ccccc2C1 |r| Show InChI InChI=1S/C23H25N3O3/c27-20(15-26-12-10-17-5-1-2-6-19(17)14-26)13-25-22(28)16-29-21-9-3-7-18-8-4-11-24-23(18)21/h1-9,11,20,27H,10,12-16H2,(H,25,28)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. US Patent					Assay Description Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...				US Patent US9765068 (2017) BindingDB Entry DOI: 10.7270/Q2959KN3
					More data for this Ligand-Target Pair				3D Structure (crystal)
PRMT5/MEP50 Enzyme (Homo sapiens (Human))	BDBM336999 (US9745291, Compound 269 | US9745291, Compound 45 |...) Show SMILES O[C@H](CNC(=O)COc1cccc2cccnc12)CN1CCc2ccccc2C1 |r| Show InChI InChI=1S/C23H25N3O3/c27-20(15-26-12-10-17-5-1-2-6-19(17)14-26)13-25-22(28)16-29-21-9-3-7-18-8-4-11-24-23(18)21/h1-9,11,20,27H,10,12-16H2,(H,25,28)/t20-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/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 US9745291 (2017) BindingDB Entry DOI: 10.7270/Q2J1058K
					More data for this Ligand-Target Pair				3D Structure (crystal)