Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Phenylethanolamine N-methyltransferase' and Ligand = 'BDBM50024814'   

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 (Bos taurus (bovine))	BDBM50024814 (CHEMBL60005 | Tricyclo[6.2.2.0*2,7*]dodeca-2(7),3,...) Show SMILES N[C@@H]1CC2CCC1c1ccccc21 |TLB:0:1:7.12:5.4,THB:8:7:1.2:5.4,11:12:1.2:5.4| Show InChI InChI=1S/C12H15N/c13-12-7-8-5-6-11(12)10-4-2-1-3-9(8)10/h1-4,8,11-12H,5-7,13H2/t8?,11?,12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.58E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro inhibition of phenylethanolamine N-methyl-transferase (PNMT) activity using radiochemical assay				J Med Chem 29: 1972-82 (1986) BindingDB Entry DOI: 10.7270/Q2K64JNM
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM50024814 (CHEMBL60005 | Tricyclo[6.2.2.0*2,7*]dodeca-2(7),3,...) Show SMILES N[C@@H]1CC2CCC1c1ccccc21 |TLB:0:1:7.12:5.4,THB:8:7:1.2:5.4,11:12:1.2:5.4| Show InChI InChI=1S/C12H15N/c13-12-7-8-5-6-11(12)10-4-2-1-3-9(8)10/h1-4,8,11-12H,5-7,13H2/t8?,11?,12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of phenylethanolamine N-methyl-transferase (PNMT)				J Med Chem 31: 433-44 (1988) BindingDB Entry DOI: 10.7270/Q2NG4R6N
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM50024814 (CHEMBL60005 | Tricyclo[6.2.2.0*2,7*]dodeca-2(7),3,...) Show SMILES N[C@@H]1CC2CCC1c1ccccc21 |TLB:0:1:7.12:5.4,THB:8:7:1.2:5.4,11:12:1.2:5.4| Show InChI InChI=1S/C12H15N/c13-12-7-8-5-6-11(12)10-4-2-1-3-9(8)10/h1-4,8,11-12H,5-7,13H2/t8?,11?,12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of Phenylethylamine N-Methyltransferase (PNMT) using radiochemical assay				J Med Chem 30: 2191-208 (1988) BindingDB Entry DOI: 10.7270/Q2H41S10
					More data for this Ligand-Target Pair