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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 375.4
BDBM200280
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200280
PNG
(AB01004181-01 | cid_45898217)
Show SMILES Cn1cc(cn1)C(=O)NC1CCN(CC1)C(=O)Nc1nnc(s1)C1CC1
Show InChI InChI=1S/C16H21N7O2S/c1-22-9-11(8-17-22)13(24)18-12-4-6-23(7-5-12)16(25)19-15-21-20-14(26-15)10-2-3-10/h8-10,12H,2-7H2,1H3,(H,18,24)(H,19,21,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>5.30E+4n/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair