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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 = 'BDBM71446'   
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))
BDBM71446
PNG
(2-benzylsulfonyl-5-chloro-N-(3-methylphenyl)pyrimi...)
Show SMILES Cc1cccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C19H16ClN3O3S/c1-13-6-5-9-15(10-13)22-18(24)17-16(20)11-21-19(23-17)27(25,26)12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,22,24)
PDB
MMDB

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PCBioAssay
n/an/an/an/a 2.15E+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