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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Disintegrin and metalloproteinase domain-containing protein 17' and Ligand = 'BDBM113975'   
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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM113975
PNG
(2-amino-5-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-4-[3-...)
Show SMILES Nc1[nH]c(C(=O)c2ccccc2)c(c1C(=O)NCCc1c[nH]c2ccccc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H23F3N4O2/c30-29(31,32)20-10-6-9-18(15-20)23-24(27(33)36-25(23)26(37)17-7-2-1-3-8-17)28(38)34-14-13-19-16-35-22-12-5-4-11-21(19)22/h1-12,15-16,35-36H,13-14,33H2,(H,34,38)
PDB
MMDB

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PC cid
PC sid
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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/Q2DV1HJQ
More data for this
Ligand-Target Pair