BDBM50095441 CHEMBL3589039

SMILES: CNCCN(C)Cc1c[nH]nc1-c1ccc(O[C@H]2C[C@@H](C2)OCCC2CCOCC2)cc1

InChI Key:

Data: 5 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 5 hits for monomerid = 50095441   

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
Protein arginine methyltransferase 8 (PRMT8) (Homo sapiens (Human))	BDBM50095441 (CHEMBL3589039) Show SMILES CNCCN(C)Cc1c[nH]nc1-c1ccc(O[C@H]2C[C@@H](C2)OCCC2CCOCC2)cc1 |r,wU:17.17,wD:19.22,(9.1,4.97,;7.93,4.58,;7.61,3.08,;6.15,2.59,;5.83,1.08,;6.75,.26,;4.37,.6,;4.06,-.91,;5.09,-2.05,;4.31,-3.38,;2.81,-3.06,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4.35,-.7,;-5.84,-.3,;-5.45,1.19,;-7.17,-1.07,;-8.5,-.31,;-9.84,-1.08,;-11.17,-.31,;-12.51,-1.08,;-13.84,-.31,;-13.84,1.23,;-12.51,2,;-11.17,1.23,;-1.33,-.77,;,-1.54,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	223	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST tagged full-length human PRMT8 expressed in Escherichia coli (BL21(DE3) pre-incubated for 30 mins before addition of a [...				ACS Med Chem Lett 6: 655-9 (2015) Article DOI: 10.1021/acsmedchemlett.5b00071 BindingDB Entry DOI: 10.7270/Q20003V2
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 6 (Homo sapiens (Human))	BDBM50095441 (CHEMBL3589039) Show SMILES CNCCN(C)Cc1c[nH]nc1-c1ccc(O[C@H]2C[C@@H](C2)OCCC2CCOCC2)cc1 |r,wU:17.17,wD:19.22,(9.1,4.97,;7.93,4.58,;7.61,3.08,;6.15,2.59,;5.83,1.08,;6.75,.26,;4.37,.6,;4.06,-.91,;5.09,-2.05,;4.31,-3.38,;2.81,-3.06,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4.35,-.7,;-5.84,-.3,;-5.45,1.19,;-7.17,-1.07,;-8.5,-.31,;-9.84,-1.08,;-11.17,-.31,;-12.51,-1.08,;-13.84,-.31,;-13.84,1.23,;-12.51,2,;-11.17,1.23,;-1.33,-.77,;,-1.54,)| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. Curated by ChEMBL					Assay Description Inhibition of FLAG and hexa-histidine tagged full-length human PRMT6 expressed in HEK293F cells pre-incubated for 30 mins before addition of a [3H]SA...				ACS Med Chem Lett 6: 655-9 (2015) Article DOI: 10.1021/acsmedchemlett.5b00071 BindingDB Entry DOI: 10.7270/Q20003V2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein-arginine N-methyltransferase 1 (Homo sapiens (Human))	BDBM50095441 (CHEMBL3589039) Show SMILES CNCCN(C)Cc1c[nH]nc1-c1ccc(O[C@H]2C[C@@H](C2)OCCC2CCOCC2)cc1 |r,wU:17.17,wD:19.22,(9.1,4.97,;7.93,4.58,;7.61,3.08,;6.15,2.59,;5.83,1.08,;6.75,.26,;4.37,.6,;4.06,-.91,;5.09,-2.05,;4.31,-3.38,;2.81,-3.06,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4.35,-.7,;-5.84,-.3,;-5.45,1.19,;-7.17,-1.07,;-8.5,-.31,;-9.84,-1.08,;-11.17,-.31,;-12.51,-1.08,;-13.84,-.31,;-13.84,1.23,;-12.51,2,;-11.17,1.23,;-1.33,-.77,;,-1.54,)| Show InChI	PDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. Curated by ChEMBL					Assay Description Inhibition of PRMT1 in human A375 cells assessed as effect on monomethyl R*GG motif methylation at 0.01 to 20 uM incubated for 48 hrs by Western blot...				ACS Med Chem Lett 6: 655-9 (2015) Article DOI: 10.1021/acsmedchemlett.5b00071 BindingDB Entry DOI: 10.7270/Q20003V2
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 6 (Homo sapiens (Human))	BDBM50095441 (CHEMBL3589039) Show SMILES CNCCN(C)Cc1c[nH]nc1-c1ccc(O[C@H]2C[C@@H](C2)OCCC2CCOCC2)cc1 |r,wU:17.17,wD:19.22,(9.1,4.97,;7.93,4.58,;7.61,3.08,;6.15,2.59,;5.83,1.08,;6.75,.26,;4.37,.6,;4.06,-.91,;5.09,-2.05,;4.31,-3.38,;2.81,-3.06,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4.35,-.7,;-5.84,-.3,;-5.45,1.19,;-7.17,-1.07,;-8.5,-.31,;-9.84,-1.08,;-11.17,-.31,;-12.51,-1.08,;-13.84,-.31,;-13.84,1.23,;-12.51,2,;-11.17,1.23,;-1.33,-.77,;,-1.54,)| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	637	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. Curated by ChEMBL					Assay Description Inhibition of his-tagged PRMT6 (unknown origin) expressed in human A375 cells assessed as reduction in H3R2 methylation at 0.01 to 20 uM incubated fo...				ACS Med Chem Lett 6: 655-9 (2015) Article DOI: 10.1021/acsmedchemlett.5b00071 BindingDB Entry DOI: 10.7270/Q20003V2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein-arginine N-methyltransferase 1 (Homo sapiens (Human))	BDBM50095441 (CHEMBL3589039) Show SMILES CNCCN(C)Cc1c[nH]nc1-c1ccc(O[C@H]2C[C@@H](C2)OCCC2CCOCC2)cc1 |r,wU:17.17,wD:19.22,(9.1,4.97,;7.93,4.58,;7.61,3.08,;6.15,2.59,;5.83,1.08,;6.75,.26,;4.37,.6,;4.06,-.91,;5.09,-2.05,;4.31,-3.38,;2.81,-3.06,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4.35,-.7,;-5.84,-.3,;-5.45,1.19,;-7.17,-1.07,;-8.5,-.31,;-9.84,-1.08,;-11.17,-.31,;-12.51,-1.08,;-13.84,-.31,;-13.84,1.23,;-12.51,2,;-11.17,1.23,;-1.33,-.77,;,-1.54,)| Show InChI	PDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST tagged full-length human PRMT1 expressed in high five insect cells pre-incubated for 30 mins before addition of a [3H]SA...				ACS Med Chem Lett 6: 655-9 (2015) Article DOI: 10.1021/acsmedchemlett.5b00071 BindingDB Entry DOI: 10.7270/Q20003V2
					More data for this Ligand-Target Pair