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SMILES: Cc1ccc(C)c2CN3CCc4cc5OCOc5cc4[C@@H]3Cc12

InChI Key: InChIKey=HTASIHNKLLQQSL-SFHVURJKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 235780   
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
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM235780
PNG
(US9359372, DC037033)
Show SMILES Cc1ccc(C)c2CN3CCc4cc5OCOc5cc4[C@@H]3Cc12 |r|
Show InChI InChI=1S/C20H21NO2/c1-12-3-4-13(2)17-10-21-6-5-14-7-19-20(23-11-22-19)9-16(14)18(21)8-15(12)17/h3-4,7,9,18H,5-6,8,10-11H2,1-2H3/t18-/m0/s1
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PC cid
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US Patent
 208 -9.26 416n/an/an/an/an/a30



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
Different concentrations (10^−5 M-10^−11 M) of the compound of the invention and corresponding isotope receptor ligand as well as recepto...

US Patent US9359372 (2016)


BindingDB Entry DOI: 10.7270/Q2736PSP
More data for this
Ligand-Target Pair