BDBM50194756 CHEMBL3961701

SMILES: CNCCN1CCC(CC1)OCc1ccccc1

InChI Key: InChIKey=HBOJWAYLSJLULG-UHFFFAOYSA-N

Data: 2 KI  8 IC50  2 Kd

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 12 hits for monomerid = 50194756   

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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50194756 (CHEMBL3961701) Show SMILES CNCCN1CCC(CC1)OCc1ccccc1 Show InChI InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor				J Med Chem 59: 9124-9139 (2016) Article DOI: 10.1021/acs.jmedchem.6b01033 BindingDB Entry DOI: 10.7270/Q2028TGJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50194756 (CHEMBL3961701) Show SMILES CNCCN1CCC(CC1)OCc1ccccc1 Show InChI InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Displacement of [3H]alpha-methylhistamine from human histamine H3 receptor expressed HEK Flp-In cell membranes				J Med Chem 59: 9124-9139 (2016) Article DOI: 10.1021/acs.jmedchem.6b01033 BindingDB Entry DOI: 10.7270/Q2028TGJ
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM50194756 (CHEMBL3961701) Show SMILES CNCCN1CCC(CC1)OCc1ccccc1 Show InChI InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of human full length PRMT4 (1 to 608 residues) expressed in 293F cells assessed as inhibition of methylation activity preincubated with pr...				J Med Chem 59: 9124-9139 (2016) Article DOI: 10.1021/acs.jmedchem.6b01033 BindingDB Entry DOI: 10.7270/Q2028TGJ
					More data for this Ligand-Target Pair
Protein-arginine N-methyltransferase 1 (Homo sapiens (Human))	BDBM50194756 (CHEMBL3961701) Show SMILES CNCCN1CCC(CC1)OCc1ccccc1 Show InChI InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3	PDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of PRMT1 (unknown origin) assessed as inhibition of methylation activity measured after 3 hrs using [3H]-SAM by scintillation proximity as...				J Med Chem 59: 9124-9139 (2016) Article DOI: 10.1021/acs.jmedchem.6b01033 BindingDB Entry DOI: 10.7270/Q2028TGJ
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM50194756 (CHEMBL3961701) Show SMILES CNCCN1CCC(CC1)OCc1ccccc1 Show InChI InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of PRMT4 (unknown origin) using histone H3 (21 to 44 residues) as substrate measured after 60 mins in presence of SAM by AlphaLisa assay				J Med Chem 62: 5414-5433 (2019) Article DOI: 10.1021/acs.jmedchem.9b00297
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 6 (Homo sapiens (Human))	BDBM50194756 (CHEMBL3961701) Show SMILES CNCCN1CCC(CC1)OCc1ccccc1 Show InChI InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of wild-type FLAG-tagged PRMT6 (unknown origin) expressed in HEK293 cells assessed as reduction in H3R2me2a level measured after 20 hrs by...				J Med Chem 59: 9124-9139 (2016) Article DOI: 10.1021/acs.jmedchem.6b01033 BindingDB Entry DOI: 10.7270/Q2028TGJ
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM50194756 (CHEMBL3961701) Show SMILES CNCCN1CCC(CC1)OCc1ccccc1 Show InChI InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of PRMT4 in HEK293 cells assessed as reduction in Med12-Rme2a level measured after 72 hrs by western blot analysis				J Med Chem 59: 9124-9139 (2016) Article DOI: 10.1021/acs.jmedchem.6b01033 BindingDB Entry DOI: 10.7270/Q2028TGJ
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 8 (Homo sapiens (Human))	BDBM50194756 (CHEMBL3961701) Show SMILES CNCCN1CCC(CC1)OCc1ccccc1 Show InChI InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of PRMT8 (unknown origin) assessed as inhibition of methylation activity measured after 3 hrs using [3H]-SAM by scintillation proximity as...				J Med Chem 59: 9124-9139 (2016) Article DOI: 10.1021/acs.jmedchem.6b01033 BindingDB Entry DOI: 10.7270/Q2028TGJ
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 3 (Homo sapiens (Human))	BDBM50194756 (CHEMBL3961701) Show SMILES CNCCN1CCC(CC1)OCc1ccccc1 Show InChI InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3	PDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of PRMT3 (unknown origin) assessed as inhibition of methylation activity measured after 3 hrs using [3H]-SAM by scintillation proximity as...				J Med Chem 59: 9124-9139 (2016) Article DOI: 10.1021/acs.jmedchem.6b01033 BindingDB Entry DOI: 10.7270/Q2028TGJ
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 6 (Homo sapiens (Human))	BDBM50194756 (CHEMBL3961701) Show SMILES CNCCN1CCC(CC1)OCc1ccccc1 Show InChI InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Binding affinity to human PRMT6 in presence of SAH by ITC method				J Med Chem 59: 9124-9139 (2016) Article DOI: 10.1021/acs.jmedchem.6b01033 BindingDB Entry DOI: 10.7270/Q2028TGJ
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM50194756 (CHEMBL3961701) Show SMILES CNCCN1CCC(CC1)OCc1ccccc1 Show InChI InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Binding affinity to human PRMT4 in presence of SAH by ITC method				J Med Chem 59: 9124-9139 (2016) Article DOI: 10.1021/acs.jmedchem.6b01033 BindingDB Entry DOI: 10.7270/Q2028TGJ
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 6 (Homo sapiens (Human))	BDBM50194756 (CHEMBL3961701) Show SMILES CNCCN1CCC(CC1)OCc1ccccc1 Show InChI InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of human full length PRMT6 (1 to 375 residues) expressed in baculovirus expression system assessed as inhibition of methylation activity p...				J Med Chem 59: 9124-9139 (2016) Article DOI: 10.1021/acs.jmedchem.6b01033 BindingDB Entry DOI: 10.7270/Q2028TGJ
					More data for this Ligand-Target Pair