BDBM50069446 (1S,2R)-1-Cyclohexyl-3-dimethylamino-2-(4-methoxy-phenyl)-propan-1-ol; hydrochloride::CHEMBL538053

SMILES: COc1ccc(cc1)[C@H](CN(C)C)[C@@H](O)C1CCCCC1

InChI Key: InChIKey=HIWRPROZZGDETH-ROUUACIJSA-N

Data: 3 KI  3 Kd

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 = 50069446   

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 serotonin transporter (Rattus norvegicus (rat))	BDBM50069446 ((1S,2R)-1-Cyclohexyl-3-dimethylamino-2-(4-methoxy-...) Show SMILES COc1ccc(cc1)[C@H](CN(C)C)[C@@H](O)C1CCCCC1 Show InChI InChI=1S/C18H29NO2/c1-19(2)13-17(14-9-11-16(21-3)12-10-14)18(20)15-7-5-4-6-8-15/h9-12,15,17-18,20H,4-8,13H2,1-3H3/t17-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50069446 ((1S,2R)-1-Cyclohexyl-3-dimethylamino-2-(4-methoxy-...) Show SMILES COc1ccc(cc1)[C@H](CN(C)C)[C@@H](O)C1CCCCC1 Show InChI InChI=1S/C18H29NO2/c1-19(2)13-17(14-9-11-16(21-3)12-10-14)18(20)15-7-5-4-6-8-15/h9-12,15,17-18,20H,4-8,13H2,1-3H3/t17-,18-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50069446 ((1S,2R)-1-Cyclohexyl-3-dimethylamino-2-(4-methoxy-...) Show SMILES COc1ccc(cc1)[C@H](CN(C)C)[C@@H](O)C1CCCCC1 Show InChI InChI=1S/C18H29NO2/c1-19(2)13-17(14-9-11-16(21-3)12-10-14)18(20)15-7-5-4-6-8-15/h9-12,15,17-18,20H,4-8,13H2,1-3H3/t17-,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- DA reuptake into rat striatal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50069446 ((1S,2R)-1-Cyclohexyl-3-dimethylamino-2-(4-methoxy-...) Show SMILES COc1ccc(cc1)[C@H](CN(C)C)[C@@H](O)C1CCCCC1 Show InChI InChI=1S/C18H29NO2/c1-19(2)13-17(14-9-11-16(21-3)12-10-14)18(20)15-7-5-4-6-8-15/h9-12,15,17-18,20H,4-8,13H2,1-3H3/t17-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50069446 ((1S,2R)-1-Cyclohexyl-3-dimethylamino-2-(4-methoxy-...) Show SMILES COc1ccc(cc1)[C@H](CN(C)C)[C@@H](O)C1CCCCC1 Show InChI InChI=1S/C18H29NO2/c1-19(2)13-17(14-9-11-16(21-3)12-10-14)18(20)15-7-5-4-6-8-15/h9-12,15,17-18,20H,4-8,13H2,1-3H3/t17-,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Equilibrium dissociation constant (KD) for Competitive binding between [3H]- nisoxatine and the compound at human Norepinephrine transporter				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50069446 ((1S,2R)-1-Cyclohexyl-3-dimethylamino-2-(4-methoxy-...) Show SMILES COc1ccc(cc1)[C@H](CN(C)C)[C@@H](O)C1CCCCC1 Show InChI InChI=1S/C18H29NO2/c1-19(2)13-17(14-9-11-16(21-3)12-10-14)18(20)15-7-5-4-6-8-15/h9-12,15,17-18,20H,4-8,13H2,1-3H3/t17-,18-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Equilibrium dissociation constant (KD) for Competitive binding between [3H]WIN-35428 and the compound at human transporter-hDAT				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair