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SMILES: COc1cc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c(OC)c1OC

InChI Key: InChIKey=YBCSGDGYLFQPLN-INIZCTEOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 235770   
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))		BDBM235770
PNG
(US9359372, DC037016)
Show SMILES COc1cc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c(OC)c1OC |r|
Show InChI InChI=1S/C21H23NO5/c1-23-19-8-13-6-16-14-9-18-17(26-11-27-18)7-12(14)4-5-22(16)10-15(13)20(24-2)21(19)25-3/h7-9,16H,4-6,10-11H2,1-3H3/t16-/m0/s1
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PC cid
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UniChem
US Patent
 377 -8.90 763n/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