BDBM96702 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-phenylethylamino)ethanone;ethanedioic acid::1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-phenylethylamino)ethanone;oxalic acid::1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(phenethylamino)ethanone;oxalic acid::MLS001007424::SMR000352617::cid_16195935

SMILES: O=C(CNCCc1ccccc1)N1CCc2ccccc2C1

InChI Key: InChIKey=OZKNLHUHDSYABU-UHFFFAOYSA-N

Data: 2 IC50  2 EC50

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 4 hits for monomerid = 96702   

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
G-protein subunit alpha-16 (Homo sapiens (Human))	BDBM96702 (1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-phenyleth...) Show SMILES O=C(CNCCc1ccccc1)N1CCc2ccccc2C1 Show InChI InChI=1S/C19H22N2O/c22-19(14-20-12-10-16-6-2-1-3-7-16)21-13-11-17-8-4-5-9-18(17)15-21/h1-9,20H,10-15H2	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.99E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2CN72J7
					More data for this Ligand-Target Pair
G-protein subunit alpha-16 (Homo sapiens (Human))	BDBM96702 (1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-phenyleth...) Show SMILES O=C(CNCCc1ccccc1)N1CCc2ccccc2C1 Show InChI InChI=1S/C19H22N2O/c22-19(14-20-12-10-16-6-2-1-3-7-16)21-13-11-17-8-4-5-9-18(17)15-21/h1-9,20H,10-15H2	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>2.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2QZ28KG
					More data for this Ligand-Target Pair
trace amine-associated receptor 1 (Homo sapiens (Human))	BDBM96702 (1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-phenyleth...) Show SMILES O=C(CNCCc1ccccc1)N1CCc2ccccc2C1 Show InChI InChI=1S/C19H22N2O/c22-19(14-20-12-10-16-6-2-1-3-7-16)21-13-11-17-8-4-5-9-18(17)15-21/h1-9,20H,10-15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q24748HT
					More data for this Ligand-Target Pair
trace amine-associated receptor 1 (Homo sapiens (Human))	BDBM96702 (1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-phenyleth...) Show SMILES O=C(CNCCc1ccccc1)N1CCc2ccccc2C1 Show InChI InChI=1S/C19H22N2O/c22-19(14-20-12-10-16-6-2-1-3-7-16)21-13-11-17-8-4-5-9-18(17)15-21/h1-9,20H,10-15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q280517J
					More data for this Ligand-Target Pair