BDBM50026182 3-Phenyl-prop-2-ynylamine::CHEMBL110611::US9161922, Table 1, Compound 3

SMILES: NCC#Cc1ccccc1

InChI Key: InChIKey=DEHHYUARFKIUDI-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 = 50026182   

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
Dopamine beta-hydroxylase (Bos taurus)	BDBM50026182 (3-Phenyl-prop-2-ynylamine | CHEMBL110611 | US91619...) Show SMILES NCC#Cc1ccccc1 Show InChI InChI=1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,8,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was determined for the kinetic constant against Dopamine beta hydroxylase purified from beef adrenals, inhibitory constant (Ki)				J Med Chem 29: 315-7 (1986) BindingDB Entry DOI: 10.7270/Q2H99464
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Bos taurus (Bovine))	BDBM50026182 (3-Phenyl-prop-2-ynylamine | CHEMBL110611 | US91619...) Show SMILES NCC#Cc1ccccc1 Show InChI InChI=1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,8,10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	US Patent	n/a	n/a	7.00E+5	n/a	n/a	n/a	n/a	7.2	30
Case Western Reserve University US Patent					Assay Description In the following Examples, 0.9 mL aliquots of a solution of candidate inhibitor in 100 mM potassium phosphate buffer, pH 7.2 was mixed bovine plasma ...				US Patent US9161922 (2015) BindingDB Entry DOI: 10.7270/Q2WD3ZB1
					More data for this Ligand-Target Pair