BDBM50274975 5-(3-benzylpyrrolidin-3-yl)-N,N-dimethyl-1H-indole-2-carboxamide::CHEMBL463387

SMILES: CN(C)C(=O)c1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1

InChI Key: InChIKey=XBZYPUYXVGRGJR-UHFFFAOYSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50274975   

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 noradrenaline transporter (Homo sapiens (Human))	BDBM50274975 (5-(3-benzylpyrrolidin-3-yl)-N,N-dimethyl-1H-indole...) Show SMILES CN(C)C(=O)c1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1 Show InChI InChI=1S/C22H25N3O/c1-25(2)21(26)20-13-17-12-18(8-9-19(17)24-20)22(10-11-23-15-22)14-16-6-4-3-5-7-16/h3-9,12-13,23-24H,10-11,14-15H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of NET (unknown origin)				Bioorg Med Chem Lett 18: 6062-6 (2008) Article DOI: 10.1016/j.bmcl.2008.10.025 BindingDB Entry DOI: 10.7270/Q29886TF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50274975 (5-(3-benzylpyrrolidin-3-yl)-N,N-dimethyl-1H-indole...) Show SMILES CN(C)C(=O)c1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1 Show InChI InChI=1S/C22H25N3O/c1-25(2)21(26)20-13-17-12-18(8-9-19(17)24-20)22(10-11-23-15-22)14-16-6-4-3-5-7-16/h3-9,12-13,23-24H,10-11,14-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT (unknown origin)				Bioorg Med Chem Lett 18: 6062-6 (2008) Article DOI: 10.1016/j.bmcl.2008.10.025 BindingDB Entry DOI: 10.7270/Q29886TF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50274975 (5-(3-benzylpyrrolidin-3-yl)-N,N-dimethyl-1H-indole...) Show SMILES CN(C)C(=O)c1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1 Show InChI InChI=1S/C22H25N3O/c1-25(2)21(26)20-13-17-12-18(8-9-19(17)24-20)22(10-11-23-15-22)14-16-6-4-3-5-7-16/h3-9,12-13,23-24H,10-11,14-15H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of DAT (unknown origin)				Bioorg Med Chem Lett 18: 6062-6 (2008) Article DOI: 10.1016/j.bmcl.2008.10.025 BindingDB Entry DOI: 10.7270/Q29886TF
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50274975 (5-(3-benzylpyrrolidin-3-yl)-N,N-dimethyl-1H-indole...) Show SMILES CN(C)C(=O)c1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1 Show InChI InChI=1S/C22H25N3O/c1-25(2)21(26)20-13-17-12-18(8-9-19(17)24-20)22(10-11-23-15-22)14-16-6-4-3-5-7-16/h3-9,12-13,23-24H,10-11,14-15H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin) by fluorescence based assay				Bioorg Med Chem Lett 18: 6062-6 (2008) Article DOI: 10.1016/j.bmcl.2008.10.025 BindingDB Entry DOI: 10.7270/Q29886TF
					More data for this Ligand-Target Pair