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Compile Data Set for Download or QSAR

Found 144 hits of ic50 data for polymerid = 2152,49000184   
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


(Homo sapiens (Human))		BDBM50170723
PNG
(1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide...)
Show SMILES NC(NC(N)=Nc1ccc(Cl)cc1)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,23.23,5.5|
Show InChI InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)
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n/an/a 210n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay

J Med Chem 56: 781-95 (2013)


Article DOI: 10.1021/jm301302s
BindingDB Entry DOI: 10.7270/Q2F76DWZ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50420232
PNG
(CHEMBL2074900)
Show SMILES CN(CCCl)C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C16H16ClN/c1-18(11-10-17)16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10-11H2,1H3
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n/an/a>300n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT1-expressing HEK293 cells

Br J Pharmacol 136: 829-36 (2002)


Article DOI: 10.1038/sj.bjp.0704785
BindingDB Entry DOI: 10.7270/Q29Z9656
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))		BDBM50060429
PNG
((R)-2-(4-Fluoro-phenyl)-2-{1-[3-(5-[1,2,4]triazol-...)
Show SMILES OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H31FN6O/c27-21-5-3-19(4-6-21)26(16-34)31-22-9-12-32(13-10-22)11-1-2-20-15-28-25-8-7-23(14-24(20)25)33-17-29-30-18-33/h3-8,14-15,17-18,22,26,28,31,34H,1-2,9-13,16H2/t26-/m0/s1
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n/an/a 540n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for the displacement of [3H]-5-HT binding to cloned rat 5-hydroxytryptamine 7 receptor stably expressed in CHO cells

J Med Chem 42: 4981-5001 (2000)


BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50261048
PNG
(CHEMBL4062501)
Show SMILES [#6]C([#6])([#6])c1ccc(cc1)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C11H17N3/c1-11(2,3)8-4-6-9(7-5-8)14-10(12)13/h4-7H,1-3H3,(H4,12,13,14)
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n/an/a 900n/an/an/an/an/an/a



Department of Pharmaceutics, School of Pharmacy, Virginia Commonwealth University, Richmond, VA 23298, USA.

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of substrate [3H]MPP+ after 1 min by liquid scintillation counting ...

Bioorg Med Chem Lett 27: 4440-4445 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.008
BindingDB Entry DOI: 10.7270/Q24M970C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM39687
PNG
((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...)
Show SMILES CCN1\C(=C\c2ccc3ccccc3[n+]2CC)C=Cc2ccccc12 |c:19|
Show InChI InChI=1S/C23H23N2/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2/h5-17H,3-4H2,1-2H3/q+1
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n/an/a 980n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT1-expressing HEK293 cells

Br J Pharmacol 136: 829-36 (2002)


Article DOI: 10.1038/sj.bjp.0704785
BindingDB Entry DOI: 10.7270/Q29Z9656
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM94507
PNG
(2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...)
Show SMILES CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
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n/an/a 1.55E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of MPP+ after 1 min

J Med Chem 60: 2685-2696 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01317
BindingDB Entry DOI: 10.7270/Q2NV9MHQ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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n/an/a 1.84E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT1-expressing HEK293 cells

Br J Pharmacol 136: 829-36 (2002)


Article DOI: 10.1038/sj.bjp.0704785
BindingDB Entry DOI: 10.7270/Q29Z9656
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM36880
PNG
(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Show SMILES Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H
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n/an/a 2.23E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of MPP+ after 1 min

J Med Chem 60: 2685-2696 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01317
BindingDB Entry DOI: 10.7270/Q2NV9MHQ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50261064
PNG
(CHEMBL4100146)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccc(I)cc1
Show InChI InChI=1S/C7H8IN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Department of Pharmaceutics, School of Pharmacy, Virginia Commonwealth University, Richmond, VA 23298, USA.

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of substrate [3H]MPP+ after 1 min by liquid scintillation counting ...

Bioorg Med Chem Lett 27: 4440-4445 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.008
BindingDB Entry DOI: 10.7270/Q24M970C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM151585
PNG
(US11739089, Compound Ketoconazole | US8987315, Ket...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay

J Med Chem 60: 2685-2696 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01317
BindingDB Entry DOI: 10.7270/Q2NV9MHQ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50017679
PNG
(Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...)
Show SMILES CC(COc1ccccc1)N(CCCl)Cc1ccccc1
Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
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n/an/a 2.72E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT1-expressing HEK293 cells

Br J Pharmacol 136: 829-36 (2002)


Article DOI: 10.1038/sj.bjp.0704785
BindingDB Entry DOI: 10.7270/Q29Z9656
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50485613
PNG
(Tetrahexylammonium)
Show SMILES CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC
Show InChI InChI=1S/C24H52N/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4/h5-24H2,1-4H3/q+1
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in OCT1-expressing HeLa cells

J Pharmacol Exp Ther 288: 1192-8 (1999)


BindingDB Entry DOI: 10.7270/Q24X5BNQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))		BDBM50151982
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of rat hydroxytryptamine 7 receptor

J Med Chem 47: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50063753
PNG
(CHEMBL12131 | Closantel | N-(5-chloro-4-((4-chloro...)
Show SMILES Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O
Show InChI InChI=1S/C22H14Cl2I2N2O2/c1-11-6-15(17(10-27)12-2-4-13(23)5-3-12)18(24)9-20(11)28-22(30)16-7-14(25)8-19(26)21(16)29/h2-9,17,29H,1H3,(H,28,30)
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of MPP+ after 1 min

J Med Chem 60: 2685-2696 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01317
BindingDB Entry DOI: 10.7270/Q2NV9MHQ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM8903
PNG
((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20|
Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
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n/an/a 3.05E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT1-expressing HEK293 cells

Br J Pharmacol 136: 829-36 (2002)


Article DOI: 10.1038/sj.bjp.0704785
BindingDB Entry DOI: 10.7270/Q29Z9656
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyl-protein transferase type-I

J Med Chem 60: 2685-2696 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01317
BindingDB Entry DOI: 10.7270/Q2NV9MHQ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM36880
PNG
(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Show SMILES Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H
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n/an/a 3.90E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay

J Med Chem 56: 781-95 (2013)


Article DOI: 10.1021/jm301302s
BindingDB Entry DOI: 10.7270/Q2F76DWZ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50325274
PNG
(4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...)
Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3
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n/an/a 4.17E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay

J Med Chem 60: 2685-2696 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01317
BindingDB Entry DOI: 10.7270/Q2NV9MHQ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing HeLa cells

Mol Pharmacol 63: 489-98 (2003)


BindingDB Entry DOI: 10.7270/Q2ZW1N66
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50225293
PNG
(CHEBI:5553 | Guanabenz | WY-8678)
Show SMILES NC(=N)N\N=C\c1c(Cl)cccc1Cl
Show InChI InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+
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n/an/a 4.85E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of MPP+ after 1 min

J Med Chem 60: 2685-2696 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01317
BindingDB Entry DOI: 10.7270/Q2NV9MHQ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50253157
PNG
((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...)
Show SMILES CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy

J Med Chem 51: 5932-42 (2008)


Article DOI: 10.1021/jm8003152
BindingDB Entry DOI: 10.7270/Q23779MD
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM87351
PNG
(Amsacrine hydrochloride | CHEMBL43 | MLS002153376 ...)
Show SMILES COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy

J Med Chem 51: 5932-42 (2008)


Article DOI: 10.1021/jm8003152
BindingDB Entry DOI: 10.7270/Q23779MD
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 5.73E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT1-expressing HEK293 cells

Br J Pharmacol 136: 829-36 (2002)


Article DOI: 10.1038/sj.bjp.0704785
BindingDB Entry DOI: 10.7270/Q29Z9656
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50001000
PNG
(CHEBI:29133 | DEXTRORPHAN | US11535596, Compound D...)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCCC[C@]13[H])CCN2C |r,THB:20:19:15:2.9.3|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



University Medicine Greifswald

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as reduction in ASP+ substrate uptake by microplate reader based analysis

J Med Chem 62: 9890-9905 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01301
BindingDB Entry DOI: 10.7270/Q2QV3QSW
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 6.10E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay

J Med Chem 60: 2685-2696 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01317
BindingDB Entry DOI: 10.7270/Q2NV9MHQ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50261063
PNG
(CHEMBL1160763)
Show SMILES NC(=N)Nc1ccc(Br)cc1
Show InChI InChI=1S/C7H8BrN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Department of Pharmaceutics, School of Pharmacy, Virginia Commonwealth University, Richmond, VA 23298, USA.

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of substrate [3H]MPP+ after 1 min by liquid scintillation counting ...

Bioorg Med Chem Lett 27: 4440-4445 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.008
BindingDB Entry DOI: 10.7270/Q24M970C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50338982
PNG
((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...)
Show SMILES COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC |r|
Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m1/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy

J Med Chem 51: 5932-42 (2008)


Article DOI: 10.1021/jm8003152
BindingDB Entry DOI: 10.7270/Q23779MD
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM31775
PNG
(Amudane | Fulvicin | Grisefuline | Griseofulvin)
Show SMILES COC1=CC(=O)C[C@@H](C)[C@]11Oc2c(C1=O)c(OC)cc(OC)c2Cl |t:2|
Show InChI InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay

J Med Chem 60: 2685-2696 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01317
BindingDB Entry DOI: 10.7270/Q2NV9MHQ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50010859
PNG
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
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n/an/a 7.95E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney alpha-L-fucosidase

J Med Chem 60: 2685-2696 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01317
BindingDB Entry DOI: 10.7270/Q2NV9MHQ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50017233
PNG
(CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



University Medicine Greifswald

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as reduction in ASP+ substrate uptake by microplate reader based analysis

J Med Chem 62: 9890-9905 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01301
BindingDB Entry DOI: 10.7270/Q2QV3QSW
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50303912
PNG
(2,2'-methylenebis(4-chlorophenol) | 3,3'-dichloro-...)
Show SMILES Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O
Show InChI InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2
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n/an/a 8.41E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of MPP+ after 1 min

J Med Chem 60: 2685-2696 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01317
BindingDB Entry DOI: 10.7270/Q2NV9MHQ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50237286
PNG
(Acamylophenine | Acamylophenine HCl | Camylofin)
Show SMILES CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1
Show InChI InChI=1S/C19H32N2O2/c1-5-21(6-2)14-13-20-18(17-10-8-7-9-11-17)19(22)23-15-12-16(3)4/h7-11,16,18,20H,5-6,12-15H2,1-4H3
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n/an/a 9.12E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of MPP+ after 1 min

J Med Chem 60: 2685-2696 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01317
BindingDB Entry DOI: 10.7270/Q2NV9MHQ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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n/an/a 9.18E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of MPP+ after 1 min

J Med Chem 60: 2685-2696 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01317
BindingDB Entry DOI: 10.7270/Q2NV9MHQ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50153520
PNG
((S)-2-ethoxy-4-(2-(3-methyl-1-(2-(piperidin-1-yl)p...)
Show SMILES CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(O)=O |r|
Show InChI InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1
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n/an/a 9.20E+3n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy

J Med Chem 51: 5932-42 (2008)


Article DOI: 10.1021/jm8003152
BindingDB Entry DOI: 10.7270/Q23779MD
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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n/an/a 9.90E+3n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy

J Med Chem 51: 5932-42 (2008)


Article DOI: 10.1021/jm8003152
BindingDB Entry DOI: 10.7270/Q23779MD
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50505665
PNG
(CHEMBL1623871)
Show SMILES [H][C@@]12Cc3ccc(OC)cc3[C@]3(CCCC[C@@]13[H])CCN2
Show InChI InChI=1S/C17H23NO/c1-19-13-6-5-12-10-16-14-4-2-3-7-17(14,8-9-18-16)15(12)11-13/h5-6,11,14,16,18H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University Medicine Greifswald

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as reduction in ASP+ substrate uptake by microplate reader based analysis

J Med Chem 62: 9890-9905 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01301
BindingDB Entry DOI: 10.7270/Q2QV3QSW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))		BDBM234387
PNG
(10-(2-N,N-Dimethylaminoethoxy)-5-Thia-4-b-azainden...)
Show SMILES CN(C)CCOc1c2-c3ccccc3S(=O)(=O)n2c2ccccc12
Show InChI InChI=1S/C18H18N2O3S/c1-19(2)11-12-23-18-13-7-3-5-9-15(13)20-17(18)14-8-4-6-10-16(14)24(20,21)22/h3-10H,11-12H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Suven Life Sciences Ltd



Assay Description
CHO cells were transfected with an expression vector encoding rat 5-HT7 gene and CRE-Luc reporter system. Colonies were isolated and screened with 10...

J Enzyme Inhib Med Chem 26: 341-9 (2011)


Article DOI: 10.3109/14756366.2010.510471
BindingDB Entry DOI: 10.7270/Q2WW7GHT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))		BDBM234388
PNG
(3-Chloro-10-(2-N,N-Dimethylaminoethoxy)-5-Thia-4-b...)
Show SMILES CN(C)CCOc1c2-c3ccccc3S(=O)(=O)n2c2cc(Cl)ccc12
Show InChI InChI=1S/C18H17ClN2O3S/c1-20(2)9-10-24-18-13-8-7-12(19)11-15(13)21-17(18)14-5-3-4-6-16(14)25(21,22)23/h3-8,11H,9-10H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Suven Life Sciences Ltd



Assay Description
CHO cells were transfected with an expression vector encoding rat 5-HT7 gene and CRE-Luc reporter system. Colonies were isolated and screened with 10...

J Enzyme Inhib Med Chem 26: 341-9 (2011)


Article DOI: 10.3109/14756366.2010.510471
BindingDB Entry DOI: 10.7270/Q2WW7GHT
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50053590
PNG
(1N-amino(immino)methyl-4-chloroaniline | CHEMBL410...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccc(Cl)cc1
Show InChI InChI=1S/C7H8ClN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Department of Pharmaceutics, School of Pharmacy, Virginia Commonwealth University, Richmond, VA 23298, USA.

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of substrate [3H]MPP+ after 1 min by liquid scintillation counting ...

Bioorg Med Chem Lett 27: 4440-4445 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.008
BindingDB Entry DOI: 10.7270/Q24M970C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50240908
PNG
(CHEMBL170988 | N''-[(E)-amino(imino)methyl]-N-(2-p...)
Show SMILES NC(=N)N=C(N)NCCc1ccccc1 |w:3.2|
Show InChI InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


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

Pharm Res 19: 1244-7 (2002)


BindingDB Entry DOI: 10.7270/Q2T154ZH
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50100962
PNG
(1N-amino(immino)methyl-4-methylaniline | CHEMBL434...)
Show SMILES [#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C8H11N3/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5H,1H3,(H4,9,10,11)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Department of Pharmaceutics, School of Pharmacy, Virginia Commonwealth University, Richmond, VA 23298, USA.

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of substrate [3H]MPP+ after 1 min by liquid scintillation counting ...

Bioorg Med Chem Lett 27: 4440-4445 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.008
BindingDB Entry DOI: 10.7270/Q24M970C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50366613
PNG
(DEXTROMETHORPHAN)
Show SMILES COc1ccc2C[C@H]3[C@H]4CCCC[C@@]4(CCN3C)c2c1 |r,THB:17:16:5.18.6:8|
Show InChI InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1
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n/an/a 1.05E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of MPP+ after 1 min

J Med Chem 60: 2685-2696 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01317
BindingDB Entry DOI: 10.7270/Q2NV9MHQ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50067133
PNG
(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show InChI InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
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n/an/a 1.11E+4n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy

J Med Chem 51: 5932-42 (2008)


Article DOI: 10.1021/jm8003152
BindingDB Entry DOI: 10.7270/Q23779MD
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM112780
PNG
(US8629135, SW-07)
Show SMILES CN(C)CC\C=C1/c2ccccc2COc2ccccc12
Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+
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n/an/a 1.12E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of MPP+ after 1 min

J Med Chem 60: 2685-2696 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01317
BindingDB Entry DOI: 10.7270/Q2NV9MHQ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM31774
PNG
(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Show SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay

J Med Chem 60: 2685-2696 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01317
BindingDB Entry DOI: 10.7270/Q2NV9MHQ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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n/an/a 1.22E+4n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy

J Med Chem 51: 5932-42 (2008)


Article DOI: 10.1021/jm8003152
BindingDB Entry DOI: 10.7270/Q23779MD
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50004704
PNG
((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)
Show SMILES COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1
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n/an/a 1.24E+4n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy

J Med Chem 51: 5932-42 (2008)


Article DOI: 10.1021/jm8003152
BindingDB Entry DOI: 10.7270/Q23779MD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50062614
PNG
(CHEMBL900 | Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
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n/an/a 1.26E+4n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy

J Med Chem 51: 5932-42 (2008)


Article DOI: 10.1021/jm8003152
BindingDB Entry DOI: 10.7270/Q23779MD
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		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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n/an/a 1.36E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of MPP+ after 1 min

J Med Chem 60: 2685-2696 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01317
BindingDB Entry DOI: 10.7270/Q2NV9MHQ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))		BDBM50053608
PNG
(1N-amino(immino)methyl-3-chloroaniline | CHEMBL138...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1cccc(Cl)c1
Show InChI InChI=1S/C7H8ClN3/c8-5-2-1-3-6(4-5)11-7(9)10/h1-4H,(H4,9,10,11)
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n/an/a 1.37E+4n/an/an/an/an/an/a



Department of Pharmaceutics, School of Pharmacy, Virginia Commonwealth University, Richmond, VA 23298, USA.

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of substrate [3H]MPP+ after 1 min by liquid scintillation counting ...

Bioorg Med Chem Lett 27: 4440-4445 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.008
BindingDB Entry DOI: 10.7270/Q24M970C
More data for this
Ligand-Target Pair
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