BDBM50021218 (S)-2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine::2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinolin-8-ylamine(Nomifensine)::CHEMBL51697

SMILES: CN1C[C@@H](c2ccccc2)c2cccc(N)c2C1

InChI Key: InChIKey=XXPANQJNYNUNES-AWEZNQCLSA-N

Data: 3 KI  3 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 6 hits for monomerid = 50021218   

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
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50021218 ((S)-2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoli...) Show SMILES CN1C[C@@H](c2ccccc2)c2cccc(N)c2C1 Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3/t14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant NET expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50021218 ((S)-2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoli...) Show SMILES CN1C[C@@H](c2ccccc2)c2cccc(N)c2C1 Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3/t14-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DAT expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50021218 ((S)-2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoli...) Show SMILES CN1C[C@@H](c2ccccc2)c2cccc(N)c2C1 Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant SERT expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50021218 ((S)-2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoli...) Show SMILES CN1C[C@@H](c2ccccc2)c2cccc(N)c2C1 Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3/t14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dopamine uptake in rat synaptosomal fraction				J Med Chem 28: 1817-28 (1986) BindingDB Entry DOI: 10.7270/Q29W0G1M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021218 ((S)-2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoli...) Show SMILES CN1C[C@@H](c2ccccc2)c2cccc(N)c2C1 Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 5-HT uptake in rat synaptosomal fraction				J Med Chem 28: 1817-28 (1986) BindingDB Entry DOI: 10.7270/Q29W0G1M
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50021218 ((S)-2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoli...) Show SMILES CN1C[C@@H](c2ccccc2)c2cccc(N)c2C1 Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3/t14-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of noradrenaline uptake in rat synaptosomal fraction				J Med Chem 28: 1817-28 (1986) BindingDB Entry DOI: 10.7270/Q29W0G1M
					More data for this Ligand-Target Pair