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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ADAM17' and Ligand = 'BDBM38971'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ADAM17


(Homo sapiens (Human))
BDBM38971
PNG
(1-(2,3-dimethylphenyl)-4-(5-{[(2-methylphenyl)sulf...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)c2ccc(CS(=O)(=O)c3ccccc3C)o2)c1C
Show InChI InChI=1S/C25H28N2O4S/c1-18-8-6-9-22(20(18)3)26-13-15-27(16-14-26)25(28)23-12-11-21(31-23)17-32(29,30)24-10-5-4-7-19(24)2/h4-12H,13-17H2,1-3H3
PDB
MMDB

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PCBioAssay
n/an/a 6.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q21J98DJ
More data for this
Ligand-Target Pair