BDBM50297078 (S)-N-(cyclobutylmethyl)-2-(ethylthio)-N-(pyrrolidin-3-yl)benzamide::CHEMBL556539

SMILES: CCSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1

InChI Key: InChIKey=WXQUVTDLXMNHNT-HNNXBMFYSA-N

Data: 3 KI  2 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 = 50297078   

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))	BDBM50297078 ((S)-N-(cyclobutylmethyl)-2-(ethylthio)-N-(pyrrolid...) Show SMILES CCSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r| Show InChI InChI=1S/C18H26N2OS/c1-2-22-17-9-4-3-8-16(17)18(21)20(13-14-6-5-7-14)15-10-11-19-12-15/h3-4,8-9,14-15,19H,2,5-7,10-13H2,1H3/t15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human recombinant NET expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 4579-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.096 BindingDB Entry DOI: 10.7270/Q2NV9J96
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50297078 ((S)-N-(cyclobutylmethyl)-2-(ethylthio)-N-(pyrrolid...) Show SMILES CCSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r| Show InChI InChI=1S/C18H26N2OS/c1-2-22-17-9-4-3-8-16(17)18(21)20(13-14-6-5-7-14)15-10-11-19-12-15/h3-4,8-9,14-15,19H,2,5-7,10-13H2,1H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	266	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human recombinant SERT expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 4579-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.096 BindingDB Entry DOI: 10.7270/Q2NV9J96
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50297078 ((S)-N-(cyclobutylmethyl)-2-(ethylthio)-N-(pyrrolid...) Show SMILES CCSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r| Show InChI InChI=1S/C18H26N2OS/c1-2-22-17-9-4-3-8-16(17)18(21)20(13-14-6-5-7-14)15-10-11-19-12-15/h3-4,8-9,14-15,19H,2,5-7,10-13H2,1H3/t15-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant DAT expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 4579-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.096 BindingDB Entry DOI: 10.7270/Q2NV9J96
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50297078 ((S)-N-(cyclobutylmethyl)-2-(ethylthio)-N-(pyrrolid...) Show SMILES CCSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r| Show InChI InChI=1S/C18H26N2OS/c1-2-22-17-9-4-3-8-16(17)18(21)20(13-14-6-5-7-14)15-10-11-19-12-15/h3-4,8-9,14-15,19H,2,5-7,10-13H2,1H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG				Bioorg Med Chem Lett 19: 4579-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.096 BindingDB Entry DOI: 10.7270/Q2NV9J96
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50297078 ((S)-N-(cyclobutylmethyl)-2-(ethylthio)-N-(pyrrolid...) Show SMILES CCSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r| Show InChI InChI=1S/C18H26N2OS/c1-2-22-17-9-4-3-8-16(17)18(21)20(13-14-6-5-7-14)15-10-11-19-12-15/h3-4,8-9,14-15,19H,2,5-7,10-13H2,1H3/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 4579-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.096 BindingDB Entry DOI: 10.7270/Q2NV9J96
					More data for this Ligand-Target Pair