BDBM50474049 CHEMBL40961

SMILES: C(CN(Cc1ccccc1)c1ccccn1)CN1CCN(CCCc2ccccc2)CC1

InChI Key: InChIKey=DYQUSDHMMXTDDC-UHFFFAOYSA-N

Data: 4 Kd

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 = 50474049   

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))	BDBM50474049 (CHEMBL40961) Show SMILES C(CN(Cc1ccccc1)c1ccccn1)CN1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C28H36N4/c1-3-11-26(12-4-1)15-9-18-30-21-23-31(24-22-30)19-10-20-32(28-16-7-8-17-29-28)25-27-13-5-2-6-14-27/h1-8,11-14,16-17H,9-10,15,18-25H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.29E+3	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to human SERT in clonal cells				J Med Chem 45: 1577-84 (2002) Article DOI: 10.1021/jm011007+ BindingDB Entry DOI: 10.7270/Q29026JT
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50474049 (CHEMBL40961) Show SMILES C(CN(Cc1ccccc1)c1ccccn1)CN1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C28H36N4/c1-3-11-26(12-4-1)15-9-18-30-21-23-31(24-22-30)19-10-20-32(28-16-7-8-17-29-28)25-27-13-5-2-6-14-27/h1-8,11-14,16-17H,9-10,15,18-25H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	479	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to human SERT in clonal cells				J Med Chem 45: 1577-84 (2002) Article DOI: 10.1021/jm011007+ BindingDB Entry DOI: 10.7270/Q29026JT
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50474049 (CHEMBL40961) Show SMILES C(CN(Cc1ccccc1)c1ccccn1)CN1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C28H36N4/c1-3-11-26(12-4-1)15-9-18-30-21-23-31(24-22-30)19-10-20-32(28-16-7-8-17-29-28)25-27-13-5-2-6-14-27/h1-8,11-14,16-17H,9-10,15,18-25H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of radioligand [125I]RTI-55 binding to human Dopamine transporter in clonal cells				J Med Chem 45: 1577-84 (2002) Article DOI: 10.1021/jm011007+ BindingDB Entry DOI: 10.7270/Q29026JT
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50474049 (CHEMBL40961) Show SMILES C(CN(Cc1ccccc1)c1ccccn1)CN1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C28H36N4/c1-3-11-26(12-4-1)15-9-18-30-21-23-31(24-22-30)19-10-20-32(28-16-7-8-17-29-28)25-27-13-5-2-6-14-27/h1-8,11-14,16-17H,9-10,15,18-25H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of radioligand [125I]RTI-55 binding to human Dopamine transporter in clonal cells				J Med Chem 45: 1577-84 (2002) Article DOI: 10.1021/jm011007+ BindingDB Entry DOI: 10.7270/Q29026JT
					More data for this Ligand-Target Pair