BDBM50029108 6,7,8-Trichloro-1,2,3,4-tetrahydro-isoquinoline::CHEMBL356439

SMILES: Clc1cc2CCNCc2c(Cl)c1Cl

InChI Key: InChIKey=DYLOZSJRCGMHPX-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50029108   

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))	BDBM50029108 (6,7,8-Trichloro-1,2,3,4-tetrahydro-isoquinoline | ...) Show SMILES Clc1cc2CCNCc2c(Cl)c1Cl Show InChI InChI=1S/C9H8Cl3N/c10-7-3-5-1-2-13-4-6(5)8(11)9(7)12/h3,13H,1-2,4H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	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)
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50029108 (6,7,8-Trichloro-1,2,3,4-tetrahydro-isoquinoline | ...) Show SMILES Clc1cc2CCNCc2c(Cl)c1Cl Show InChI InChI=1S/C9H8Cl3N/c10-7-3-5-1-2-13-4-6(5)8(11)9(7)12/h3,13H,1-2,4H2	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	100	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)