BindingDB PrimarySearch

BDBM79021 (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride::MLS001401398::NCGC00092386::SMR000466298::Sertraline::[(1S,4S)-4-(3,4-dichlorophenyl)tetralin-1-yl]-methyl-amine;hydrochloride::cid_63009

SMILES: CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12

InChI Key: InChIKey=VGKDLMBJGBXTGI-SJCJKPOMSA-N

Data: 12 IC50

PDB links: 6 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 79021
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM79021 ((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2X34VX0
					More data for this Ligand-Target Pair
15-Lipoxygenase (LoxA) (Pseudomonas aeruginosa)	BDBM79021 ((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a	25
University of California, Santa Cruz					Assay Description Briefly, 3 uL of enzyme (approximately 20 nM LoxA, final concentration) or buffer (no-enzyme control) was dispensed into 1536-well Greiner black clea...				Biochemistry 55: 3329-40 (2016) Article DOI: 10.1021/acs.biochem.6b00338 BindingDB Entry DOI: 10.7270/Q21N7ZXT
University of California, Santa Cruz					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM79021 ((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
Tongji University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM79021 ((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using bufuralol substrate by LC-MS/MS method				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
Tongji University Curated by ChEMBL					More data for this Ligand-Target Pair
Calcium channel (RAT)	BDBM79021 ((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes				J Appl Toxicol 32: 858-66 (2012) Article DOI: 10.1002/jat.2784 BindingDB Entry DOI: 10.7270/Q2D79D5C
Jagiellonian University Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM79021 ((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 5-HT uptake in synaptosomal preparation from rat corpus striatum, using [3H]5-HT				J Med Chem 27: 1508-15 (1984) BindingDB Entry DOI: 10.7270/Q2WS8TTB
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM79021 ((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using omeprazole substrate by LC-MS/MS method				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
Tongji University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM79021 ((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone substrate by LC-MS/MS method				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
Tongji University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM79021 ((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	2.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin substrate by LC-MS/MS method				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
Tongji University Curated by ChEMBL					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM79021 ((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of norepinephrine uptake in synaptosomal preparation fro rat hypothalamus, using [3H]norepinephrine				J Med Chem 27: 1508-15 (1984) BindingDB Entry DOI: 10.7270/Q2WS8TTB
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM79021 ((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dopamine uptake in synaptosomal preparation in rat corpus striatum, using [3H]dopamine				J Med Chem 27: 1508-15 (1984) BindingDB Entry DOI: 10.7270/Q2WS8TTB
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM79021 ((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide substrate by LC-MS/MS method				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
Tongji University Curated by ChEMBL					More data for this Ligand-Target Pair