BDBM50203947 (2-methyl-benzyl)-(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-amine::CHEMBL397392

SMILES: Cc1ccccc1CN([C@H]1CCNC1)C1CCOCC1

InChI Key: InChIKey=WMWARSGGACJLII-KRWDZBQOSA-N

Data: 5 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 5 hits for monomerid = 50203947   

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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50203947 ((2-methyl-benzyl)-(S)-pyrrolidin-3-yl-(tetrahydro-...) Show SMILES Cc1ccccc1CN([C@H]1CCNC1)C1CCOCC1 Show InChI InChI=1S/C17H26N2O/c1-14-4-2-3-5-15(14)13-19(17-6-9-18-12-17)16-7-10-20-11-8-16/h2-5,16-18H,6-13H2,1H3/t17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	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
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50203947 ((2-methyl-benzyl)-(S)-pyrrolidin-3-yl-(tetrahydro-...) Show SMILES Cc1ccccc1CN([C@H]1CCNC1)C1CCOCC1 Show InChI InChI=1S/C17H26N2O/c1-14-4-2-3-5-15(14)13-19(17-6-9-18-12-17)16-7-10-20-11-8-16/h2-5,16-18H,6-13H2,1H3/t17-/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	1.20E+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 [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
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50203947 ((2-methyl-benzyl)-(S)-pyrrolidin-3-yl-(tetrahydro-...) Show SMILES Cc1ccccc1CN([C@H]1CCNC1)C1CCOCC1 Show InChI InChI=1S/C17H26N2O/c1-14-4-2-3-5-15(14)13-19(17-6-9-18-12-17)16-7-10-20-11-8-16/h2-5,16-18H,6-13H2,1H3/t17-/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	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
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50203947 ((2-methyl-benzyl)-(S)-pyrrolidin-3-yl-(tetrahydro-...) Show SMILES Cc1ccccc1CN([C@H]1CCNC1)C1CCOCC1 Show InChI InChI=1S/C17H26N2O/c1-14-4-2-3-5-15(14)13-19(17-6-9-18-12-17)16-7-10-20-11-8-16/h2-5,16-18H,6-13H2,1H3/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+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 hERG				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50203947 ((2-methyl-benzyl)-(S)-pyrrolidin-3-yl-(tetrahydro-...) Show SMILES Cc1ccccc1CN([C@H]1CCNC1)C1CCOCC1 Show InChI InChI=1S/C17H26N2O/c1-14-4-2-3-5-15(14)13-19(17-6-9-18-12-17)16-7-10-20-11-8-16/h2-5,16-18H,6-13H2,1H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	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
					More data for this Ligand-Target Pair