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SMILES: CCSC1(SCC)N=C(N)C2(C#N)C(c3ccc(F)cc3)C12C#N

InChI Key: InChIKey=JHXWOSNCSXBZOP-UHFFFAOYSA-N

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

Found 1 hit for monomerid = 61019   
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))		BDBM61019
PNG
(4-amino-2,2-bis(ethylsulfanyl)-6-(4-fluorophenyl)-...)
Show SMILES CCSC1(SCC)N=C(N)C2(C#N)C(c3ccc(F)cc3)C12C#N |t:7|
Show InChI InChI=1S/C17H17FN4S2/c1-3-23-17(24-4-2)16(10-20)13(11-5-7-12(18)8-6-11)15(16,9-19)14(21)22-17/h5-8,13H,3-4H2,1-2H3,(H2,21,22)
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.86E+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