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SMILES: Cc1nn(-c2cccc(C)c2)c2nc(cc(C(O)=O)c12)-c1cccs1

InChI Key: InChIKey=PBZXIZFRCFFCPV-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 96461   
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
Huntingtin


(Homo sapiens (Human))		BDBM96461
PNG
(3-methyl-1-(3-methylphenyl)-6-thiophen-2-yl-4-pyra...)
Show SMILES Cc1nn(-c2cccc(C)c2)c2nc(cc(C(O)=O)c12)-c1cccs1
Show InChI InChI=1S/C19H15N3O2S/c1-11-5-3-6-13(9-11)22-18-17(12(2)21-22)14(19(23)24)10-15(20-18)16-7-4-8-25-16/h3-10H,1-2H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.60E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2N58K09
More data for this
Ligand-Target Pair