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4 similar compounds to monomer 35938

Compile data set for download or QSAR
Wt: 309.2
BDBM50007540
Wt: 240.3
BDBM50017656
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Wt: 274.7
BDBM50020157
Wt: 302.8
BDBM50020160

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50007540,50017656,50020157,50020160   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50017656
PNG
(CHEMBL1193 | Dimethyl-(3-phenyl-3-pyridin-2-yl-pro...)
Show SMILES CN(C)CCC(c1ccccc1)c1ccccn1
Show InChI InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3
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KEGG

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CHEMBL
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KEGG
PC cid
PC sid
UniChem

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Article
PubMed
4.18E+3n/an/an/an/an/an/an/an/a



The Centre for Addiction and Mental Health

Curated by PDSP Ki Database




Mol Pharmacol 59: 427-33 (2001)


Article DOI: 10.1021/acschembio.5b00640
BindingDB Entry DOI: 10.7270/Q22Z1438
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50017656
PNG
(CHEMBL1193 | Dimethyl-(3-phenyl-3-pyridin-2-yl-pro...)
Show SMILES CN(C)CCC(c1ccccc1)c1ccccn1
Show InChI InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3
UniProtKB/SwissProt

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CHEMBL
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PC sid
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PubMed
n/an/a>1.00E+6n/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)

More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)
BDBM50020160
PNG
(CHEMBL3288467)
Show SMILES CN(C)CCCCC(c1ccc(Cl)cc1)c1ccccn1
Show InChI InChI=1S/C18H23ClN2/c1-21(2)14-6-4-7-17(18-8-3-5-13-20-18)15-9-11-16(19)12-10-15/h3,5,8-13,17H,4,6-7,14H2,1-2H3
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.80E+5n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes plasma membrane assessed as reduction of [3H]-c...


ACS Med Chem Lett 5: 576-81 (2014)


Article DOI: 10.1021/ml5000228
BindingDB Entry DOI: 10.7270/Q22V2HPS
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50017656
PNG
(CHEMBL1193 | Dimethyl-(3-phenyl-3-pyridin-2-yl-pro...)
Show SMILES CN(C)CCC(c1ccccc1)c1ccccn1
Show InChI InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea...


J Med Chem 28: 381-8 (1985)


Article DOI: 10.1021/jm00381a019
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007540
PNG
(CHEMBL279907 | [3-(4-Chloro-phenyl)-3-(5-chloro-py...)
Show SMILES CN(C)CCC(c1ccc(Cl)cc1)c1ccc(Cl)cn1
Show InChI InChI=1S/C16H18Cl2N2/c1-20(2)10-9-15(12-3-5-13(17)6-4-12)16-8-7-14(18)11-19-16/h3-8,11,15H,9-10H2,1-2H3
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PC cid
PC sid
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Article
PubMed
n/an/a 430n/an/an/an/an/an/a



A. H. Robins Company, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mepyramine binding to the Histamine H1 receptor in guinea pig cortex


J Med Chem 34: 1314-28 (1991)


Article DOI: 10.1021/jm00108a012
BindingDB Entry DOI: 10.7270/Q23F4NMG
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)
BDBM50020157
PNG
(CHEMBL3288457)
Show SMILES CN(C)CCC(c1cccc(Cl)c1)c1ccccn1
Show InChI InChI=1S/C16H19ClN2/c1-19(2)11-9-15(16-8-3-4-10-18-16)13-6-5-7-14(17)12-13/h3-8,10,12,15H,9,11H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.30E+4n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes plasma membrane assessed as reduction of [3H]-c...


ACS Med Chem Lett 5: 576-81 (2014)


Article DOI: 10.1021/ml5000228
BindingDB Entry DOI: 10.7270/Q22V2HPS
More data for this
Ligand-Target Pair