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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 22 member 1' AND taxid = 10090   
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
Solute carrier family 22 member 1


(Mus musculus)		BDBM18512
PNG
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
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Article
PubMed
 3.60E+3n/an/an/an/an/an/an/an/a



RIKEN Center for Life Science Technologies

Curated by ChEMBL


Assay Description
Inhibition of mouse Oct1 transfected in HEK293 cells assessed as uptake of [14C]-TEA preincubated for 15 mins by liquid scintillation counting analys...

Bioorg Med Chem 21: 7584-90 (2013)


Article DOI: 10.1016/j.bmc.2013.10.041
BindingDB Entry DOI: 10.7270/Q2CN75C7
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Mus musculus)		BDBM50416487
PNG
(CHEMBL1236196 | TETRABUTYLAMMONIUM)
Show SMILES CCCC[N+](CCCC)(CCCC)CCCC
Show InChI InChI=1S/C16H36N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1
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 7.30E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake in Xenopus laevis oocytes

J Pharmacol Exp Ther 292: 1146-52 (2000)


BindingDB Entry DOI: 10.7270/Q2XS5WPJ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Mus musculus)		BDBM50420179
PNG
(CHEMBL2074857)
Show SMILES CCC[N+](CCC)(CCC)CCC
Show InChI InChI=1S/C12H28N/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-12H2,1-4H3/q+1
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 1.98E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake in Xenopus laevis oocytes

J Pharmacol Exp Ther 292: 1146-52 (2000)


BindingDB Entry DOI: 10.7270/Q2XS5WPJ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Mus musculus)		BDBM50149890
PNG
(CHEMBL9324 | tetraethylammonium)
Show SMILES CC[N+](CC)(CC)CC
Show InChI InChI=1S/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1
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 1.28E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake in Xenopus laevis oocytes

J Pharmacol Exp Ther 292: 1146-52 (2000)


BindingDB Entry DOI: 10.7270/Q2XS5WPJ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Mus musculus)		BDBM50079455
PNG
(CHEMBL46486 | tetramethylammonium)
Show SMILES C[N+](C)(C)C
Show InChI InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1
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 2.04E+6n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake in Xenopus laevis oocytes

J Pharmacol Exp Ther 292: 1146-52 (2000)


BindingDB Entry DOI: 10.7270/Q2XS5WPJ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Mus musculus)		BDBM50367247
PNG
(QUININE | Quinamm | Quinsan | cid_3034034)
Show SMILES COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |THB:20:19:12.13:16.15,10:12:19.18:16.15|
Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 1 uM) in Xenopus laevis oocytes

Biochem Biophys Res Commun 296: 644-50 (2002)


BindingDB Entry DOI: 10.7270/Q2P84D6R
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Mus musculus)		BDBM50149890
PNG
(CHEMBL9324 | tetraethylammonium)
Show SMILES CC[N+](CC)(CC)CC
Show InChI InChI=1S/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1
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n/an/a 540n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 1 uM) in Xenopus laevis oocytes

Biochem Biophys Res Commun 296: 644-50 (2002)


BindingDB Entry DOI: 10.7270/Q2P84D6R
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Mus musculus)		BDBM50403559
PNG
(Brumetadina | CIMETIDINE)
Show SMILES CNC(NCCSCc1[nH]cnc1C)=NC#N |w:14.15|
Show InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
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n/an/a 590n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 1 uM) in Xenopus laevis oocytes

Biochem Biophys Res Commun 296: 644-50 (2002)


BindingDB Entry DOI: 10.7270/Q2P84D6R
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Mus musculus)		BDBM39344
PNG
(4-amino-N-[2-(diethylamino)ethyl]benzamide;hydroch...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 1 uM) in Xenopus laevis oocytes

Biochem Biophys Res Commun 296: 644-50 (2002)


BindingDB Entry DOI: 10.7270/Q2P84D6R
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Mus musculus)		BDBM50026220
PNG
(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Show SMILES C[N+](C)(C)CCO
Show InChI InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
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n/an/a 5.50E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 1 uM) in Xenopus laevis oocytes

Biochem Biophys Res Commun 296: 644-50 (2002)


BindingDB Entry DOI: 10.7270/Q2P84D6R
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Mus musculus)		BDBM50420177
PNG
(NICOTINYL METHYLAMIDE)
Show SMILES CNC(=O)c1cccnc1
Show InChI InChI=1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10)
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n/an/a 7.34E+6n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 1 uM) in Xenopus laevis oocytes

Biochem Biophys Res Commun 296: 644-50 (2002)


BindingDB Entry DOI: 10.7270/Q2P84D6R
More data for this
Ligand-Target Pair