BDBM50080522 3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-carbonitrile::CHEMBL40081

SMILES: FCC1Cc2ccc(cc2CN1)C#N

InChI Key: InChIKey=UYOIEPOOLGXPIW-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 50080522   

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 (Bos taurus (bovine))	BDBM50080522 (3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-c...) Show SMILES FCC1Cc2ccc(cc2CN1)C#N Show InChI InChI=1S/C11H11FN2/c12-5-11-4-9-2-1-8(6-13)3-10(9)7-14-11/h1-3,11,14H,4-5,7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	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
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM50080522 (3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-c...) Show SMILES FCC1Cc2ccc(cc2CN1)C#N Show InChI InChI=1S/C11H11FN2/c12-5-11-4-9-2-1-8(6-13)3-10(9)7-14-11/h1-3,11,14H,4-5,7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Affinity for bovine Phenylethanolamine N-Methyltransferase				J Med Chem 42: 3588-601 (1999) Article DOI: 10.1021/jm990045e BindingDB Entry DOI: 10.7270/Q2NV9HFK
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM50080522 (3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-c...) Show SMILES FCC1Cc2ccc(cc2CN1)C#N Show InChI InChI=1S/C11H11FN2/c12-5-11-4-9-2-1-8(6-13)3-10(9)7-14-11/h1-3,11,14H,4-5,7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Ability to inhibit phenylethanolamine N-methyltransferase (PNMT)				J Med Chem 44: 2849-56 (2001) BindingDB Entry DOI: 10.7270/Q2N58KNT
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM50080522 (3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-c...) Show SMILES FCC1Cc2ccc(cc2CN1)C#N Show InChI InChI=1S/C11H11FN2/c12-5-11-4-9-2-1-8(6-13)3-10(9)7-14-11/h1-3,11,14H,4-5,7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70E+3	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 (Homo sapiens (Human))	BDBM50080522 (3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-c...) Show SMILES FCC1Cc2ccc(cc2CN1)C#N Show InChI InChI=1S/C11H11FN2/c12-5-11-4-9-2-1-8(6-13)3-10(9)7-14-11/h1-3,11,14H,4-5,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60E+3	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