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SMILES: COc1ccc2C3Cc4cc(OC)c(OC)c(OC)c4CN3CCc2c1

InChI Key: InChIKey=YOIFNPPXIVBRIH-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 235771   
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))		BDBM235771
PNG
(US9359372, DC037007)
Show SMILES COc1ccc2C3Cc4cc(OC)c(OC)c(OC)c4CN3CCc2c1
Show InChI InChI=1S/C21H25NO4/c1-23-15-5-6-16-13(9-15)7-8-22-12-17-14(10-18(16)22)11-19(24-2)21(26-4)20(17)25-3/h5-6,9,11,18H,7-8,10,12H2,1-4H3
PDB

KEGG

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PC cid
PC sid
UniChem
US Patent
 1.00E+3 -8.31 2.03E+3n/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