Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 7 entry = 50004739   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM13014 (7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...) Show SMILES Clc1ccc2CCNCc2c1Cl Show InChI InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dissociation constant(Ki) of compound was determined to measure PNMT-inhibitory potency				J Med Chem 23: 506-11 (1980) BindingDB Entry DOI: 10.7270/Q2F47N5S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50029102 (7-Chloro-1,2,3,4-tetrahydro-isoquinoline | CHEMBL1...) Show SMILES Clc1ccc2CCNCc2c1 Show InChI InChI=1S/C9H10ClN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dissociation constant(Ki) of compound was determined to measure Phenylethanolamine N-methyltransferase inhibitory potency				J Med Chem 23: 506-11 (1980) BindingDB Entry DOI: 10.7270/Q2F47N5S
					More data for this Ligand-Target Pair				3D Structure (docked)
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50029101 (5,6,7,8-Tetrachloro-1,2,3,4-tetrahydro-isoquinolin...) Show SMILES Clc1c(Cl)c(Cl)c2CNCCc2c1Cl Show InChI InChI=1S/C9H7Cl4N/c10-6-4-1-2-14-3-5(4)7(11)9(13)8(6)12/h14H,1-3H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory potency of the compound was measured against phenylethanolamine N-methyltransferase				J Med Chem 23: 506-11 (1980) BindingDB Entry DOI: 10.7270/Q2F47N5S
					More data for this Ligand-Target Pair				3D Structure (docked)