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SMILES: CC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)Cn2nnc(n2)-c2ccccc2F)cc1

InChI Key: InChIKey=JVDYQVDVPIQLTK-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 2 hits for monomerid = 96307   
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
Albumin


(Bos taurus)
BDBM96307
PNG
(2-[5-(2-Fluoro-phenyl)-tetrazol-2-yl]-N-[4-(4-meth...)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)Cn2nnc(n2)-c2ccccc2F)cc1
Show InChI InChI=1S/C21H23FN6O3S/c1-15-10-12-27(13-11-15)32(30,31)17-8-6-16(7-9-17)23-20(29)14-28-25-21(24-26-28)18-4-2-3-5-19(18)22/h2-9,15H,10-14H2,1H3,(H,23,29)
PDB

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PC cid
PC sid
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Similars

PCBioAssay
n/an/a>9.41E+4n/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/Q2RX99Q9
More data for this
Ligand-Target Pair
T cell receptor alpha variable 4


(Homo sapiens (Human))
BDBM96307
PNG
(2-[5-(2-Fluoro-phenyl)-tetrazol-2-yl]-N-[4-(4-meth...)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)Cn2nnc(n2)-c2ccccc2F)cc1
Show InChI InChI=1S/C21H23FN6O3S/c1-15-10-12-27(13-11-15)32(30,31)17-8-6-16(7-9-17)23-20(29)14-28-25-21(24-26-28)18-4-2-3-5-19(18)22/h2-9,15H,10-14H2,1H3,(H,23,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.87E+4n/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/Q2WQ02FK
More data for this
Ligand-Target Pair