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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-binding cassette sub-family B member 6, mitochondrial' and Ligand = 'BDBM71449'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ATP-binding cassette sub-family B member 6, mitochondrial


(Homo sapiens (Human))
BDBM71449
PNG
(5-chloranyl-N-(2,6-dimethylphenyl)-2-[(3-methylphe...)
Show SMILES Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)Nc2c(C)cccc2C)c1
Show InChI InChI=1S/C21H20ClN3O3S/c1-13-6-4-9-16(10-13)12-29(27,28)21-23-11-17(22)19(25-21)20(26)24-18-14(2)7-5-8-15(18)3/h4-11H,12H2,1-3H3,(H,24,26)
PDB
MMDB

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PCBioAssay
n/an/an/an/a 7.45E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1 R03 MH093193-01A1 High Throughput Screening for inhibitors of the ABC transporter ABCB6...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GQ6WBQ
More data for this
Ligand-Target Pair