BDBM50274949 5-(3-(3-methoxybenzyl)pyrrolidin-3-yl)-1H-indole::CHEMBL514759

SMILES: COc1cccc(CC2(CCNC2)c2ccc3[nH]ccc3c2)c1

InChI Key: InChIKey=NPBACWUTGOBPGG-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 = 50274949   

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))	BDBM50274949 (5-(3-(3-methoxybenzyl)pyrrolidin-3-yl)-1H-indole |...) Show SMILES COc1cccc(CC2(CCNC2)c2ccc3[nH]ccc3c2)c1 Show InChI InChI=1S/C20H22N2O/c1-23-18-4-2-3-15(11-18)13-20(8-10-21-14-20)17-5-6-19-16(12-17)7-9-22-19/h2-7,9,11-12,21-22H,8,10,13-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	11	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))	BDBM50274949 (5-(3-(3-methoxybenzyl)pyrrolidin-3-yl)-1H-indole |...) Show SMILES COc1cccc(CC2(CCNC2)c2ccc3[nH]ccc3c2)c1 Show InChI InChI=1S/C20H22N2O/c1-23-18-4-2-3-15(11-18)13-20(8-10-21-14-20)17-5-6-19-16(12-17)7-9-22-19/h2-7,9,11-12,21-22H,8,10,13-14H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	34	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))	BDBM50274949 (5-(3-(3-methoxybenzyl)pyrrolidin-3-yl)-1H-indole |...) Show SMILES COc1cccc(CC2(CCNC2)c2ccc3[nH]ccc3c2)c1 Show InChI InChI=1S/C20H22N2O/c1-23-18-4-2-3-15(11-18)13-20(8-10-21-14-20)17-5-6-19-16(12-17)7-9-22-19/h2-7,9,11-12,21-22H,8,10,13-14H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	39	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))	BDBM50274949 (5-(3-(3-methoxybenzyl)pyrrolidin-3-yl)-1H-indole |...) Show SMILES COc1cccc(CC2(CCNC2)c2ccc3[nH]ccc3c2)c1 Show InChI InChI=1S/C20H22N2O/c1-23-18-4-2-3-15(11-18)13-20(8-10-21-14-20)17-5-6-19-16(12-17)7-9-22-19/h2-7,9,11-12,21-22H,8,10,13-14H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	100	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