BindingDB PrimarySearch

BDBM50203945 (S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amine::CHEMBL247733

SMILES: Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C

InChI Key: InChIKey=BGSBHLAICAANSC-SFHVURJKSA-N

Data: 1 KI 13 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50203945
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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50203945 ((S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-...) Show SMILES Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C \|r\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human ERG				Bioorg Med Chem Lett 18: 596-9 (2008) BindingDB Entry DOI: 10.7270/Q2DR2WBX
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50203945 ((S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-...) Show SMILES Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C \|r\| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50203945 ((S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-...) Show SMILES Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C \|r\| Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	727	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]DA from human DAT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50203945 ((S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-...) Show SMILES Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C \|r\| Show InChI	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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5HT from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50203945 ((S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-...) Show SMILES Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C \|r\| Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	727	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]DA reuptake at human dopamine transporter expressed in HEK293 cells by scintillation counting				Bioorg Med Chem Lett 18: 4308-11 (2008) Article DOI: 10.1016/j.bmcl.2008.06.078 BindingDB Entry DOI: 10.7270/Q2Q2401S
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50203945 ((S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-...) Show SMILES Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C \|r\| Show InChI	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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting				Bioorg Med Chem Lett 18: 4308-11 (2008) Article DOI: 10.1016/j.bmcl.2008.06.078 BindingDB Entry DOI: 10.7270/Q2Q2401S
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50203945 ((S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-...) Show SMILES Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C \|r\| Show InChI	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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake at human recombinant 5HT transporter expressed in HEK293 cells				Bioorg Med Chem Lett 18: 2896-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.082 BindingDB Entry DOI: 10.7270/Q2ZG6T44
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50203945 ((S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-...) Show SMILES Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C \|r\| Show InChI	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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]5HT uptake at human 5HT transporter expressed in HEK293 cells				Bioorg Med Chem Lett 18: 596-9 (2008) BindingDB Entry DOI: 10.7270/Q2DR2WBX
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50203945 ((S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-...) Show SMILES Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C \|r\| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]NA uptake at human NA transporter expressed in HEK293 cells				Bioorg Med Chem Lett 18: 596-9 (2008) BindingDB Entry DOI: 10.7270/Q2DR2WBX
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50203945 ((S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-...) Show SMILES Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C \|r\| Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	727	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human dopamine transporter expressed in HEK293 cells				Bioorg Med Chem Lett 18: 596-9 (2008) BindingDB Entry DOI: 10.7270/Q2DR2WBX
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50203945 ((S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-...) Show SMILES Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C \|r\| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]NA uptake at human recombinant NA transporter expressed in HEK293 cells				Bioorg Med Chem Lett 18: 2896-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.082 BindingDB Entry DOI: 10.7270/Q2ZG6T44
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50203945 ((S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-...) Show SMILES Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C \|r\| Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	727	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at human recombinant DAT expressed in HEK293 cells				Bioorg Med Chem Lett 18: 2896-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.082 BindingDB Entry DOI: 10.7270/Q2ZG6T44
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50203945 ((S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-...) Show SMILES Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C \|r\| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]NA from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50203945 ((S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-...) Show SMILES Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C \|r\| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting				Bioorg Med Chem Lett 18: 4308-11 (2008) Article DOI: 10.1016/j.bmcl.2008.06.078 BindingDB Entry DOI: 10.7270/Q2Q2401S
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair