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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 = 'BDBM44572'   
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))
BDBM44572
PNG
(3-(phenylmethyl)-5-[1-(phenylsulfonyl)piperidin-3-...)
Show SMILES O=c1[nH]c(nc2n(Cc3ccccc3)nnc12)C1CCCN(C1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H22N6O3S/c29-22-19-21(28(26-25-19)14-16-8-3-1-4-9-16)23-20(24-22)17-10-7-13-27(15-17)32(30,31)18-11-5-2-6-12-18/h1-6,8-9,11-12,17H,7,10,13-15H2,(H,23,24,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 603n/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