BDBM50274918 (+)-6-(3-benzylpyrrolidin-3-yl)-1H-indole::(-)-6-(3-benzylpyrrolidin-3-yl)-1H-indole::6-(3-benzylpyrrolidin-3-yl)-1H-indole::CHEMBL459165

SMILES: C(c1ccccc1)C1(CCNC1)c1ccc2cc[nH]c2c1

InChI Key: InChIKey=VHOZFHYPZOTVKS-UHFFFAOYSA-N

Data: 8 KI  3 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 11 hits for monomerid = 50274918   

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))	BDBM50274918 ((+)-6-(3-benzylpyrrolidin-3-yl)-1H-indole | (-)-6-...) Show SMILES C(c1ccccc1)C1(CCNC1)c1ccc2cc[nH]c2c1 Show InChI InChI=1S/C19H20N2/c1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-7-6-16-8-10-21-18(16)12-17/h1-8,10,12,20-21H,9,11,13-14H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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))	BDBM50274918 ((+)-6-(3-benzylpyrrolidin-3-yl)-1H-indole | (-)-6-...) Show SMILES C(c1ccccc1)C1(CCNC1)c1ccc2cc[nH]c2c1 Show InChI InChI=1S/C19H20N2/c1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-7-6-16-8-10-21-18(16)12-17/h1-8,10,12,20-21H,9,11,13-14H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	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 serotonin transporter (Homo sapiens (Human))	BDBM50274918 ((+)-6-(3-benzylpyrrolidin-3-yl)-1H-indole | (-)-6-...) Show SMILES C(c1ccccc1)C1(CCNC1)c1ccc2cc[nH]c2c1 Show InChI InChI=1S/C19H20N2/c1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-7-6-16-8-10-21-18(16)12-17/h1-8,10,12,20-21H,9,11,13-14H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	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))	BDBM50274918 ((+)-6-(3-benzylpyrrolidin-3-yl)-1H-indole | (-)-6-...) Show SMILES C(c1ccccc1)C1(CCNC1)c1ccc2cc[nH]c2c1 Show InChI InChI=1S/C19H20N2/c1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-7-6-16-8-10-21-18(16)12-17/h1-8,10,12,20-21H,9,11,13-14H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	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
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50274918 ((+)-6-(3-benzylpyrrolidin-3-yl)-1H-indole | (-)-6-...) Show SMILES C(c1ccccc1)C1(CCNC1)c1ccc2cc[nH]c2c1 Show InChI InChI=1S/C19H20N2/c1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-7-6-16-8-10-21-18(16)12-17/h1-8,10,12,20-21H,9,11,13-14H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	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
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50274918 ((+)-6-(3-benzylpyrrolidin-3-yl)-1H-indole | (-)-6-...) Show SMILES C(c1ccccc1)C1(CCNC1)c1ccc2cc[nH]c2c1 Show InChI InChI=1S/C19H20N2/c1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-7-6-16-8-10-21-18(16)12-17/h1-8,10,12,20-21H,9,11,13-14H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	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))	BDBM50274918 ((+)-6-(3-benzylpyrrolidin-3-yl)-1H-indole | (-)-6-...) Show SMILES C(c1ccccc1)C1(CCNC1)c1ccc2cc[nH]c2c1 Show InChI InChI=1S/C19H20N2/c1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-7-6-16-8-10-21-18(16)12-17/h1-8,10,12,20-21H,9,11,13-14H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	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))	BDBM50274918 ((+)-6-(3-benzylpyrrolidin-3-yl)-1H-indole | (-)-6-...) Show SMILES C(c1ccccc1)C1(CCNC1)c1ccc2cc[nH]c2c1 Show InChI InChI=1S/C19H20N2/c1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-7-6-16-8-10-21-18(16)12-17/h1-8,10,12,20-21H,9,11,13-14H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	447	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))	BDBM50274918 ((+)-6-(3-benzylpyrrolidin-3-yl)-1H-indole | (-)-6-...) Show SMILES C(c1ccccc1)C1(CCNC1)c1ccc2cc[nH]c2c1 Show InChI InChI=1S/C19H20N2/c1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-7-6-16-8-10-21-18(16)12-17/h1-8,10,12,20-21H,9,11,13-14H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50274918 ((+)-6-(3-benzylpyrrolidin-3-yl)-1H-indole | (-)-6-...) Show SMILES C(c1ccccc1)C1(CCNC1)c1ccc2cc[nH]c2c1 Show InChI InChI=1S/C19H20N2/c1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-7-6-16-8-10-21-18(16)12-17/h1-8,10,12,20-21H,9,11,13-14H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50274918 ((+)-6-(3-benzylpyrrolidin-3-yl)-1H-indole | (-)-6-...) Show SMILES C(c1ccccc1)C1(CCNC1)c1ccc2cc[nH]c2c1 Show InChI InChI=1S/C19H20N2/c1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-7-6-16-8-10-21-18(16)12-17/h1-8,10,12,20-21H,9,11,13-14H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+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