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SMILES: Cc1ccc(C)n1-n1cnc2sc(cc2c1=O)-c1ccccc1

InChI Key: InChIKey=QBJMILOEJHLDCC-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 61004   
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
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM61004
PNG
(3-(2,5-dimethyl-1-pyrrolyl)-6-phenyl-4-thieno[2,3-...)
Show SMILES Cc1ccc(C)n1-n1cnc2sc(cc2c1=O)-c1ccccc1 |(3.79,-1.87,;4.11,-.37,;3.08,.78,;3.85,2.11,;5.36,1.79,;6.5,2.82,;5.52,.26,;6.85,-.51,;6.85,-2.05,;8.18,-2.82,;9.52,-2.05,;10.98,-2.52,;11.87,-1.28,;10.98,-.04,;9.52,-.51,;8.18,.26,;8.18,1.8,;13.41,-1.28,;14.18,.05,;15.72,.05,;16.49,-1.28,;15.72,-2.61,;14.18,-2.61,)|
Show InChI InChI=1S/C18H15N3OS/c1-12-8-9-13(2)21(12)20-11-19-17-15(18(20)22)10-16(23-17)14-6-4-3-5-7-14/h3-11H,1-2H3
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PCBioAssay
n/an/an/an/a 8.51E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair