null

SMILES: OC[C@H]1Cc2ccc(Br)cc2CN1

InChI Key: InChIKey=SXNOASUKXWYZMT-SNVBAGLBSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50081952   

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
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50081952 (((R)-7-Bromo-1,2,3,4-tetrahydro-isoquinolin-3-yl)-...) Show SMILES OC[C@H]1Cc2ccc(Br)cc2CN1 Show InChI InChI=1S/C10H12BrNO/c11-9-2-1-7-4-10(6-13)12-5-8(7)3-9/h1-3,10,12-13H,4-6H2/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory binding affinity for phenylethanolamine N-methyltransferase (PNMT)				Bioorg Med Chem Lett 14: 4217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.06.009 BindingDB Entry DOI: 10.7270/Q2R49Q6M
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50081952 (((R)-7-Bromo-1,2,3,4-tetrahydro-isoquinolin-3-yl)-...) Show SMILES OC[C@H]1Cc2ccc(Br)cc2CN1 Show InChI InChI=1S/C10H12BrNO/c11-9-2-1-7-4-10(6-13)12-5-8(7)3-9/h1-3,10,12-13H,4-6H2/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibitory constant against human phenylethanolamine N-methyl-transferase over-expressed in Escherichia coli				Bioorg Med Chem Lett 11: 1579-82 (2001) BindingDB Entry DOI: 10.7270/Q2GF0V17
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM50081952 (((R)-7-Bromo-1,2,3,4-tetrahydro-isoquinolin-3-yl)-...) Show SMILES OC[C@H]1Cc2ccc(Br)cc2CN1 Show InChI InChI=1S/C10H12BrNO/c11-9-2-1-7-4-10(6-13)12-5-8(7)3-9/h1-3,10,12-13H,4-6H2/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibitory constant against bovine phenylethanolamine N-methyl-transferase				Bioorg Med Chem Lett 11: 1579-82 (2001) BindingDB Entry DOI: 10.7270/Q2GF0V17
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM50081952 (((R)-7-Bromo-1,2,3,4-tetrahydro-isoquinolin-3-yl)-...) Show SMILES OC[C@H]1Cc2ccc(Br)cc2CN1 Show InChI InChI=1S/C10H12BrNO/c11-9-2-1-7-4-10(6-13)12-5-8(7)3-9/h1-3,10,12-13H,4-6H2/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description In vitro inhibition of PNMT (Phenylethanolamine N-Methyltransferase).				J Med Chem 42: 4351-61 (1999) BindingDB Entry DOI: 10.7270/Q2X0667W
					More data for this Ligand-Target Pair