BDBM50337838 1-(1-(3,4-dichlorophenyl)cyclohexyl)-N-methylmethanamine::CHEMBL1683870::US10562878, Compound 75

SMILES: CNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=NDMODESSMWGHBK-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 50337838   

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 dopamine transporter (Homo sapiens (Human))	BDBM50337838 (1-(1-(3,4-dichlorophenyl)cyclohexyl)-N-methylmetha...) Show SMILES CNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H19Cl2N/c1-17-10-14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11/h5-6,9,17H,2-4,7-8,10H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant dopamine transporter				Bioorg Med Chem Lett 21: 1438-41 (2011) Article DOI: 10.1016/j.bmcl.2011.01.016 BindingDB Entry DOI: 10.7270/Q2S46S72
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50337838 (1-(1-(3,4-dichlorophenyl)cyclohexyl)-N-methylmetha...) Show SMILES CNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H19Cl2N/c1-17-10-14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11/h5-6,9,17H,2-4,7-8,10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant Norepinephrine transporter				Bioorg Med Chem Lett 21: 1438-41 (2011) Article DOI: 10.1016/j.bmcl.2011.01.016 BindingDB Entry DOI: 10.7270/Q2S46S72
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50337838 (1-(1-(3,4-dichlorophenyl)cyclohexyl)-N-methylmetha...) Show SMILES CNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H19Cl2N/c1-17-10-14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11/h5-6,9,17H,2-4,7-8,10H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	169	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant serotonin transporter				Bioorg Med Chem Lett 21: 1438-41 (2011) Article DOI: 10.1016/j.bmcl.2011.01.016 BindingDB Entry DOI: 10.7270/Q2S46S72
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50337838 (1-(1-(3,4-dichlorophenyl)cyclohexyl)-N-methylmetha...) Show SMILES CNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H19Cl2N/c1-17-10-14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11/h5-6,9,17H,2-4,7-8,10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]norepinephrine reuptake at human human recombinant NET expressed in HEK293 cells by scintillation counting				Bioorg Med Chem Lett 21: 1434-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.019 BindingDB Entry DOI: 10.7270/Q2CV4J2P
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50337838 (1-(1-(3,4-dichlorophenyl)cyclohexyl)-N-methylmetha...) Show SMILES CNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H19Cl2N/c1-17-10-14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11/h5-6,9,17H,2-4,7-8,10H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	169	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake at human recombinant SERT expressed in LLC-PK1 cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 1434-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.019 BindingDB Entry DOI: 10.7270/Q2CV4J2P
					More data for this Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine (Rattus norvegicus (rat))	BDBM50337838 (1-(1-(3,4-dichlorophenyl)cyclohexyl)-N-methylmetha...) Show SMILES CNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H19Cl2N/c1-17-10-14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11/h5-6,9,17H,2-4,7-8,10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Quantification of dopamine uptake was performed using synaptosomes isolated in a 0.32 M sucrose buffer from a male Wistar rat striatum. The uptake of...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50337838 (1-(1-(3,4-dichlorophenyl)cyclohexyl)-N-methylmetha...) Show SMILES CNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H19Cl2N/c1-17-10-14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11/h5-6,9,17H,2-4,7-8,10H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	169	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human serotonin reuptake transporter was assayed using the recombinant human serotonin transporter expressed in HEK-293 cells. HEK-293 ...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Neuroepithelial cell-transforming gene 1 protein (Homo sapiens)	BDBM50337838 (1-(1-(3,4-dichlorophenyl)cyclohexyl)-N-methylmetha...) Show SMILES CNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H19Cl2N/c1-17-10-14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11/h5-6,9,17H,2-4,7-8,10H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human norepinephrine reuptake transporter was assayed using the recombinant human norepinephrine transporter expressed in either HEK293...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Monoamine transporter (Homo sapiens (Human))	BDBM50337838 (1-(1-(3,4-dichlorophenyl)cyclohexyl)-N-methylmetha...) Show SMILES CNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H19Cl2N/c1-17-10-14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11/h5-6,9,17H,2-4,7-8,10H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin (Rattus norvegicus (rat))	BDBM50337838 (1-(1-(3,4-dichlorophenyl)cyclohexyl)-N-methylmetha...) Show SMILES CNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H19Cl2N/c1-17-10-14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11/h5-6,9,17H,2-4,7-8,10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Quantification of 5-HT uptake was performed using synaptosomes isolated in a 0.32M sucrose buffer from a male Wistar rat cortex. The uptake of radiol...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Neuroepithelial cell-transforming 1 (Rat)	BDBM50337838 (1-(1-(3,4-dichlorophenyl)cyclohexyl)-N-methylmetha...) Show SMILES CNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H19Cl2N/c1-17-10-14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11/h5-6,9,17H,2-4,7-8,10H2,1H3	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
SUNOVION PHARAMCEUTICALS INC. US Patent					Assay Description Quantification of norepinephrine uptake was performed using synaptosomes isolated in a 0.32 M sucrose buffer from a male Wistar rat hypothalamus. The...				US Patent US10562878 (2020) BindingDB Entry DOI: 10.7270/Q2XP77BX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50337838 (1-(1-(3,4-dichlorophenyl)cyclohexyl)-N-methylmetha...) Show SMILES CNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H19Cl2N/c1-17-10-14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11/h5-6,9,17H,2-4,7-8,10H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine reuptake at human human recombinant DAT expressed in COS-7 cells by scintillation counting				Bioorg Med Chem Lett 21: 1434-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.019 BindingDB Entry DOI: 10.7270/Q2CV4J2P
					More data for this Ligand-Target Pair