BDBM287982 N-(4-(4-((2-phenoxy-2- phenylethyl)amino)quinazolin-2- yl)phenyl)methanesulfonamide::US10087148, Example 49

SMILES: CS(=O)(=O)Nc1ccc(cc1)-c1nc(NCC(Oc2ccccc2)c2ccccc2)c2ccccc2n1

InChI Key: InChIKey=DXIBAJCXYDXYEB-UHFFFAOYSA-N

Data: 1 EC50

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 1 hit for monomerid = 287982   

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 dopamine transporter (Homo sapiens (Human))	BDBM287982 (N-(4-(4-((2-phenoxy-2- phenylethyl)amino)quinazoli...) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1nc(NCC(Oc2ccccc2)c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C29H26N4O3S/c1-37(34,35)33-23-18-16-22(17-19-23)28-31-26-15-9-8-14-25(26)29(32-28)30-20-27(21-10-4-2-5-11-21)36-24-12-6-3-7-13-24/h2-19,27,33H,20H2,1H3,(H,30,31,32)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	30	n/a	n/a	7.4	n/a
THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTE OF HEALTH; SOUTHERN RESEARCH INSTITUTE US Patent					Assay Description Uptake inhibition assay for the dopamine transporter was conducted in rat brain synaptosomes as described elsewhere with minor modifications (Rothman...				US Patent US10087148 (2018) BindingDB Entry DOI: 10.7270/Q27W6F63
					More data for this Ligand-Target Pair