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BDBM287936 N-(4-(4-((2-hydroxy-2,2- diphenylethyl)amino)quinazolin-2- yl)phenyl)methanesulfonamide::US10087148, Example 4

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

InChI Key: InChIKey=BNEFLNKNDUPTNP-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 287936   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM287936
PNG
(N-(4-(4-((2-hydroxy-2,2- diphenylethyl)amino)quina...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1nc(NCC(O)(c2ccccc2)c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C29H26N4O3S/c1-37(35,36)33-24-18-16-21(17-19-24)27-31-26-15-9-8-14-25(26)28(32-27)30-20-29(34,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-19,33-34H,20H2,1H3,(H,30,31,32)
NCI pathway
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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 11n/an/a7.4n/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

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