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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Multidrug resistance-associated protein 1' and Ligand = 'BDBM44628'   
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
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM44628
PNG
(MLS000057683 | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1...)
Show SMILES CCc1nnc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(C)cc2)s1
Show InChI InChI=1S/C16H20N4O3S2/c1-3-14-18-19-16(24-14)17-15(21)13-5-4-10-20(13)25(22,23)12-8-6-11(2)7-9-12/h6-9,13H,3-5,10H2,1-2H3,(H,17,19,21)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 5.60E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair