BDBM50297098 (S)-N-cyclohexyl-2-(methylthio)-N-(pyrrolidin-3-yl)benzamide::CHEMBL553395

SMILES: CSc1ccccc1C(=O)N([C@H]1CCNC1)C1CCCCC1

InChI Key: InChIKey=ABYFXYVIEFXQPH-HNNXBMFYSA-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 = 50297098   

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))	BDBM50297098 ((S)-N-cyclohexyl-2-(methylthio)-N-(pyrrolidin-3-yl...) Show SMILES CSc1ccccc1C(=O)N([C@H]1CCNC1)C1CCCCC1 |r| Show InChI InChI=1S/C18H26N2OS/c1-22-17-10-6-5-9-16(17)18(21)20(15-11-12-19-13-15)14-7-3-2-4-8-14/h5-6,9-10,14-15,19H,2-4,7-8,11-13H2,1H3/t15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	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))	BDBM50297098 ((S)-N-cyclohexyl-2-(methylthio)-N-(pyrrolidin-3-yl...) Show SMILES CSc1ccccc1C(=O)N([C@H]1CCNC1)C1CCCCC1 |r| Show InChI InChI=1S/C18H26N2OS/c1-22-17-10-6-5-9-16(17)18(21)20(15-11-12-19-13-15)14-7-3-2-4-8-14/h5-6,9-10,14-15,19H,2-4,7-8,11-13H2,1H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	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))	BDBM50297098 ((S)-N-cyclohexyl-2-(methylthio)-N-(pyrrolidin-3-yl...) Show SMILES CSc1ccccc1C(=O)N([C@H]1CCNC1)C1CCCCC1 |r| Show InChI InChI=1S/C18H26N2OS/c1-22-17-10-6-5-9-16(17)18(21)20(15-11-12-19-13-15)14-7-3-2-4-8-14/h5-6,9-10,14-15,19H,2-4,7-8,11-13H2,1H3/t15-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.95E+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))	BDBM50297098 ((S)-N-cyclohexyl-2-(methylthio)-N-(pyrrolidin-3-yl...) Show SMILES CSc1ccccc1C(=O)N([C@H]1CCNC1)C1CCCCC1 |r| Show InChI InChI=1S/C18H26N2OS/c1-22-17-10-6-5-9-16(17)18(21)20(15-11-12-19-13-15)14-7-3-2-4-8-14/h5-6,9-10,14-15,19H,2-4,7-8,11-13H2,1H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.27E+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