BDBM50132679 CHEMBL111128::Methyl-((2S,3S)-3-naphthalen-2-yl-bicyclo[2.2.1]hept-2-ylmethyl)-amine

SMILES: CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1

InChI Key: InChIKey=PORDAYLSLHLTRQ-FYOYPEGLSA-N

Data: 3 KI  6 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 9 hits for monomerid = 50132679   

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 (Homo sapiens (Human))	BDBM50132679 (CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...) Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1 Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from Serotonin transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50132679 (CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...) Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1 Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-WIN-35,428 from Dopamine transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50132679 (CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...) Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1 Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Compound was tested for its ability to displace [3H]-citalopram from norepinephrin transpoter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50132679 (CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...) Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1 Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol-Myers Squibb R&D Centre Curated by ChEMBL					Assay Description Inhibition of SERT (unknown origin) assessed as reduction of [3H]5-HT re-uptake				J Med Chem 61: 2133-2165 (2018) Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M
					More data for this Ligand-Target Pair
Monoamine transporter (Homo sapiens (Human))	BDBM50132679 (CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...) Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1 Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol-Myers Squibb R&D Centre Curated by ChEMBL					Assay Description Inhibition of NET (unknown origin) assessed as reduction of [3H]-NE re-uptake				J Med Chem 61: 2133-2165 (2018) Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50132679 (CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...) Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1 Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol-Myers Squibb R&D Centre Curated by ChEMBL					Assay Description Inhibition of DAT (unknown origin) assessed as reduction of [3H]-DA re-uptake				J Med Chem 61: 2133-2165 (2018) Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50132679 (CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...) Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1 Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-Nisoxetine from norepinephrin transpoter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50132679 (CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...) Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1 Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of [3H]-NE re-uptake into synaptosome				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50132679 (CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...) Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1 Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description In vitro ability of compound to inhibit 5-HT re-uptake of radiolabelled [3H]-tritium trasmitter into synaptosome				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair