BDBM50174266 CHEMBL198525::N-(2-(4-(1H-indol-3-yl)-5,6-dihydropyridin-1(2H)-yl)ethyl)-5-(2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide::N-(2-(4-(1H-indol-3-yl)-5,6-dihydropyridin-1(2H)-yl)ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide

SMILES: O=C(CCCCC1SCC2NC(=O)NC12)NCCN1CCC(=CC1)c1c[nH]c2ccccc12

InChI Key: InChIKey=MVDIHPTYPOOXGQ-UHFFFAOYSA-N

Data: 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 3 hits for monomerid = 50174266   

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 serotonin transporter (Homo sapiens (Human))	BDBM50174266 (CHEMBL198525 | N-(2-(4-(1H-indol-3-yl)-5,6-dihydro...) Show SMILES O=C(CCCCC1SCC2NC(=O)NC12)NCCN1CCC(=CC1)c1c[nH]c2ccccc12 |c:23| Show InChI InChI=1S/C25H33N5O2S/c31-23(8-4-3-7-22-24-21(16-33-22)28-25(32)29-24)26-11-14-30-12-9-17(10-13-30)19-15-27-20-6-2-1-5-18(19)20/h1-2,5-6,9,15,21-22,24,27H,3-4,7-8,10-14,16H2,(H,26,31)(H2,28,29,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibitory activity of compound bound to streptavidin-conjugated quantum dots against human SERT transfected in HEK293 cells				Bioorg Med Chem Lett 15: 5307-10 (2005) Article DOI: 10.1016/j.bmcl.2005.08.030 BindingDB Entry DOI: 10.7270/Q23N22XS
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50174266 (CHEMBL198525 | N-(2-(4-(1H-indol-3-yl)-5,6-dihydro...) Show SMILES O=C(CCCCC1SCC2NC(=O)NC12)NCCN1CCC(=CC1)c1c[nH]c2ccccc12 |c:23| Show InChI InChI=1S/C25H33N5O2S/c31-23(8-4-3-7-22-24-21(16-33-22)28-25(32)29-24)26-11-14-30-12-9-17(10-13-30)19-15-27-20-6-2-1-5-18(19)20/h1-2,5-6,9,15,21-22,24,27H,3-4,7-8,10-14,16H2,(H,26,31)(H2,28,29,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Displacement of [3H]serotonin from human SERT expressed in HeLa cells				Bioorg Med Chem Lett 17: 5656-60 (2007) Article DOI: 10.1016/j.bmcl.2007.07.061 BindingDB Entry DOI: 10.7270/Q2BR8RW3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50174266 (CHEMBL198525 | N-(2-(4-(1H-indol-3-yl)-5,6-dihydro...) Show SMILES O=C(CCCCC1SCC2NC(=O)NC12)NCCN1CCC(=CC1)c1c[nH]c2ccccc12 |c:23| Show InChI InChI=1S/C25H33N5O2S/c31-23(8-4-3-7-22-24-21(16-33-22)28-25(32)29-24)26-11-14-30-12-9-17(10-13-30)19-15-27-20-6-2-1-5-18(19)20/h1-2,5-6,9,15,21-22,24,27H,3-4,7-8,10-14,16H2,(H,26,31)(H2,28,29,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibitory activity against human SERT transfected in HEK293 cells				Bioorg Med Chem Lett 15: 5307-10 (2005) Article DOI: 10.1016/j.bmcl.2005.08.030 BindingDB Entry DOI: 10.7270/Q23N22XS
					More data for this Ligand-Target Pair