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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cystic fibrosis transmembrane conductance regulator' and Ligand = 'BDBM200234'   
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))
BDBM200234
PNG
(AB00053570_02 | cid_4068)
Show SMILES O.[O-]C(=O)c1ccccc1-c1c2cc(Br)c(=O)cc2oc2c([Hg])c([O-])c(Br)cc12 |(12.53,-4.56,;5.85,5.52,;5.85,3.98,;4.52,3.21,;7.18,3.21,;7.18,4.75,;8.52,5.52,;9.85,4.75,;9.85,3.21,;8.52,2.44,;8.52,.9,;7.18,.13,;5.81,.95,;4.41,.16,;3.08,.93,;4.41,-1.45,;3.08,-2.22,;5.81,-2.24,;7.18,-1.41,;8.52,-2.18,;9.85,-1.41,;11.23,-2.24,;11.21,-3.78,;12.62,-1.45,;13.95,-2.22,;12.62,.16,;13.95,.93,;11.23,.95,;9.85,.13,)|
Show InChI InChI=1S/C20H9Br2O5.Hg.H2O/c21-13-5-11-17(7-15(13)23)27-18-8-16(24)14(22)6-12(18)19(11)9-3-1-2-4-10(9)20(25)26;;/h1-7,24H,(H,25,26);;1H2/p-2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/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
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200234
PNG
(AB00053570_02 | cid_4068)
Show SMILES O.[O-]C(=O)c1ccccc1-c1c2cc(Br)c(=O)cc2oc2c([Hg])c([O-])c(Br)cc12 |(12.53,-4.56,;5.85,5.52,;5.85,3.98,;4.52,3.21,;7.18,3.21,;7.18,4.75,;8.52,5.52,;9.85,4.75,;9.85,3.21,;8.52,2.44,;8.52,.9,;7.18,.13,;5.81,.95,;4.41,.16,;3.08,.93,;4.41,-1.45,;3.08,-2.22,;5.81,-2.24,;7.18,-1.41,;8.52,-2.18,;9.85,-1.41,;11.23,-2.24,;11.21,-3.78,;12.62,-1.45,;13.95,-2.22,;12.62,.16,;13.95,.93,;11.23,.95,;9.85,.13,)|
Show InChI InChI=1S/C20H9Br2O5.Hg.H2O/c21-13-5-11-17(7-15(13)23)27-18-8-16(24)14(22)6-12(18)19(11)9-3-1-2-4-10(9)20(25)26;;/h1-7,24H,(H,25,26);;1H2/p-2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>5.00E+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