BindingDB PrimarySearch

BDBM50295294 (+/-)-trans-3-(2-((dimethylamino)methyl)cyclopentyl)-1H-indole-5-carbonitrile::3-((1S,2S)-2-((dimethylamino)methyl)cyclopentyl)-1H-indole-5-carbonitrile::CHEMBL552167::trans-3-((1S,2S)-2-((dimethylamino)methyl)cyclopentyl)-1H-indole-5-carbonitrile

SMILES: CN(C)C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(cc12)C#N

InChI Key: InChIKey=RXJIAQGHWRMBEZ-KGLIPLIRSA-N

Data: 8 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50295294
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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50295294 ((+/-)-trans-3-(2-((dimethylamino)methyl)cyclopenty...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers SquibbPharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4031-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.026 BindingDB Entry DOI: 10.7270/Q2Q81D3K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50295294 ((+/-)-trans-3-(2-((dimethylamino)methyl)cyclopenty...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers SquibbPharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4031-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.026 BindingDB Entry DOI: 10.7270/Q2Q81D3K
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50295294 ((+/-)-trans-3-(2-((dimethylamino)methyl)cyclopenty...) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers SquibbPharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4031-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.026 BindingDB Entry DOI: 10.7270/Q2Q81D3K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50295294 ((+/-)-trans-3-(2-((dimethylamino)methyl)cyclopenty...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 53: 7564-72 (2010) Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV
Bristol Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50295294 ((+/-)-trans-3-(2-((dimethylamino)methyl)cyclopenty...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cells				Bioorg Med Chem Lett 20: 1027-30 (2010) Article DOI: 10.1016/j.bmcl.2009.12.043 BindingDB Entry DOI: 10.7270/Q2125SSB
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50295294 ((+/-)-trans-3-(2-((dimethylamino)methyl)cyclopenty...) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [I125]RTI-55 from human DAT transfected in human HEK293 cells				Bioorg Med Chem Lett 20: 1027-30 (2010) Article DOI: 10.1016/j.bmcl.2009.12.043 BindingDB Entry DOI: 10.7270/Q2125SSB
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50295294 ((+/-)-trans-3-(2-((dimethylamino)methyl)cyclopenty...) Show SMILES Show InChI	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	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [I125]nisoxetine from human NET transfected in human HEK293 cells				Bioorg Med Chem Lett 20: 1027-30 (2010) Article DOI: 10.1016/j.bmcl.2009.12.043 BindingDB Entry DOI: 10.7270/Q2125SSB
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50295294 ((+/-)-trans-3-(2-((dimethylamino)methyl)cyclopenty...) Show SMILES Show InChI	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	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers SquibbPharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]nisoxetine from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4031-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.026 BindingDB Entry DOI: 10.7270/Q2Q81D3K
					More data for this Ligand-Target Pair