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2 similar compounds to monomer 94499

Compile data set for download or QSAR
Wt: 295.4
BDBM50173858
Wt: 281.3
BDBM50241333
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50173858,50241333   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H1 receptor


(RAT)
BDBM50241333
PNG
(4-(benzhydryloxy)-1-methylpiperidine | CHEMBL1492 ...)
Show SMILES CN1CCC(CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3
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Article
PubMed
3.20n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 75: 6290-4 (1978)


Article DOI: 10.1073/pnas.75.12.6290
BindingDB Entry DOI: 10.7270/Q2FN14P6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50173858
PNG
(1-methyl-4-[(3-methylphenyl)(phenyl)methoxy]piperi...)
Show SMILES CN1CCC(CC1)OC(c1ccccc1)c1cccc(C)c1
Show InChI InChI=1S/C20H25NO/c1-16-7-6-10-18(15-16)20(17-8-4-3-5-9-17)22-19-11-13-21(2)14-12-19/h3-10,15,19-20H,11-14H2,1-2H3
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PC cid
PC sid
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n/an/a 293n/an/an/an/an/an/a



Wake Forest University Health Sciences

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 dopamine transporter binding in rat striatal membrane


Bioorg Med Chem Lett 15: 4915-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.028
BindingDB Entry DOI: 10.7270/Q2H41S7P
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50241333
PNG
(4-(benzhydryloxy)-1-methylpiperidine | CHEMBL1492 ...)
Show SMILES CN1CCC(CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3
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antibodypedia
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Article
PubMed
n/an/a 5.09E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...


Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50241333
PNG
(4-(benzhydryloxy)-1-methylpiperidine | CHEMBL1492 ...)
Show SMILES CN1CCC(CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3
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KEGG

UniProtKB/SwissProt

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Purchase

CHEBI
CHEMBL
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Wake Forest University Health Sciences

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 dopamine transporter binding in rat striatal membrane


Bioorg Med Chem Lett 15: 4915-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.028
BindingDB Entry DOI: 10.7270/Q2H41S7P
More data for this
Ligand-Target Pair