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Compile Data Set for Download or QSAR

Found 86 hits Enz. Inhib. hit(s) with Target = 'Adrenaline alpha1' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
Adrenaline alpha1


(RAT)
BDBM50420215
PNG
(CHEMBL339858)
Show SMILES CC(C)N1\C(=C/c2cc[n+](C(C)C)c3ccccc23)C=Cc2ccccc12
Show InChI InChI=1S/C25H27N2/c1-18(2)26-16-15-21(23-10-6-8-12-25(23)26)17-22-14-13-20-9-5-7-11-24(20)27(22)19(3)4/h5-19H,1-4H3/q+1
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110n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake in OCT1-expressing HEK293 cells


Naunyn Schmiedebergs Arch Pharmacol 354: 320-6 (1997)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50420192
PNG
(CHEMBL2074851)
Show SMILES CC[n+]1c(CC2C=C(C)N=C(N2C)c2ccccc2)ccc2ccccc12
Show InChI InChI=1S/C24H26N3/c1-4-27-21(15-14-19-10-8-9-13-23(19)27)17-22-16-18(2)25-24(26(22)3)20-11-6-5-7-12-20/h5-16,22H,4,17H2,1-3H3/q+1
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130n/an/an/an/an/an/an/an/a



Bayerische Julius-Maximilians-Universit£t

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes


Nature 372: 549-552 (1994)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM39687
PNG
((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...)
Show SMILES CCN1\C(=C\c2ccc3ccccc3[n+]2CC)C=Cc2ccccc12
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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360n/an/an/an/an/an/an/an/a



Bayerische Julius-Maximilians-Universit£t

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes


Nature 372: 549-552 (1994)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50420181
PNG
(CHEMBL2074704)
Show SMILES CCCCC[N+](CCCCC)(CCCCC)CCCCC
Show InChI InChI=1S/C20H44N/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-20H2,1-4H3/q+1
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430n/an/an/an/an/an/an/an/a



Bayerische Julius-Maximilians-Universit£t

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes


Nature 372: 549-552 (1994)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM39687
PNG
((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...)
Show SMILES CCN1\C(=C\c2ccc3ccccc3[n+]2CC)C=Cc2ccccc12
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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500n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake in OCT1-expressing HEK293 cells


Naunyn Schmiedebergs Arch Pharmacol 354: 320-6 (1997)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50420192
PNG
(CHEMBL2074851)
Show SMILES CC[n+]1c(CC2C=C(C)N=C(N2C)c2ccccc2)ccc2ccccc12
Show InChI InChI=1S/C24H26N3/c1-4-27-21(15-14-19-10-8-9-13-23(19)27)17-22-16-18(2)25-24(26(22)3)20-11-6-5-7-12-20/h5-16,22H,4,17H2,1-3H3/q+1
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670n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake in OCT1-expressing HEK293 cells


Naunyn Schmiedebergs Arch Pharmacol 354: 320-6 (1997)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM81945
PNG
(CAS_39484 | CHEMBL105891 | CHEMBL108926 | CHEMBL27...)
Show SMILES C[n+]1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1
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800n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake (basolateral to cell) in OCT1-expressing MDCK cells


J Pharmacol Exp Ther 287: 800-5 (1998)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50367247
PNG
(QUININE | Quinamm | Quinsan | cid_3034034)
Show SMILES COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1
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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930n/an/an/an/an/an/an/an/a



Bayerische Julius-Maximilians-Universit£t

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes


Nature 372: 549-552 (1994)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM82505
PNG
(CAS_121881 | NSC_121881 | SB204070)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Br J Pharmacol 112: 789-94 (1994)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1N=C1NCCN1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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1.40E+3n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake in OCT1-expressing HEK293 cells


Naunyn Schmiedebergs Arch Pharmacol 354: 320-6 (1997)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
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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2.80E+3n/an/an/an/an/an/an/an/a



Bayerische Julius-Maximilians-Universit£t

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes


Nature 372: 549-552 (1994)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50367247
PNG
(QUININE | Quinamm | Quinsan | cid_3034034)
Show SMILES COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1
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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4.30E+3n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake in OCT1-expressing HEK293 cells


Naunyn Schmiedebergs Arch Pharmacol 354: 320-6 (1997)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50420216
PNG
(MEPIPERPHENIDOL BROMIDE)
Show SMILES CC(C)C(C(O)CC[N+]1(C)CCCCC1)c1ccccc1
Show InChI InChI=1S/C19H32NO/c1-16(2)19(17-10-6-4-7-11-17)18(21)12-15-20(3)13-8-5-9-14-20/h4,6-7,10-11,16,18-19,21H,5,8-9,12-15H2,1-3H3/q+1
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5.20E+3n/an/an/an/an/an/an/an/a



Bayerische Julius-Maximilians-Universit£t

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes


Nature 372: 549-552 (1994)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50403559
PNG
(Brumetadina | CIMETIDINE)
Show SMILES CNC(NCCSCc1[nH]cnc1C)=NC#N
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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5.70E+3n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake (basolateral to cell) in OCT1-expressing MDCK cells


J Pharmacol Exp Ther 287: 800-5 (1998)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50017681
PNG
((1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4...)
Show SMILES COc1ccc2nccc([C@H](O)C3CC4CCN3CC4C=C)c2c1
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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6.00E+3n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake in OCT1-expressing HEK293 cells


Naunyn Schmiedebergs Arch Pharmacol 354: 320-6 (1997)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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6.90E+3n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


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


Pharm Res 18: 1528-34 (2001)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM82472
PNG
(BW-723C86 | CAS_5311036 | NSC_5311036)
Show SMILES CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Show InChI InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Br J Pharmacol 117: 1443-8 (1996)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50014407
PNG
(2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...)
Show SMILES C1CN(CCN1)c1ccc2ccccc2n1
Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




Eur J Pharmacol 168: 387-92 (1989)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50035398
PNG
((S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidin...)
Show SMILES CN1CCC[C@H]1c1cc(C)no1
Show InChI InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 270: 310-8 (1994)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Neuropharmacology 35: 725-34 (1996)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM86694
PNG
(N'-(3-Chloro-4-morpholinophenyl)-N-hydroxyform...)
Show SMILES ONC=Nc1ccc(N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C11H14ClN3O2/c12-10-7-9(13-8-14-16)1-2-11(10)15-3-5-17-6-4-15/h1-2,7-8,16H,3-6H2,(H,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 77-85 (2005)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50170653
PNG
((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Bayerische Julius-Maximilians-Universit£t

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes


Nature 372: 549-552 (1994)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
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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1.30E+4n/an/an/an/an/an/an/an/a



Bayerische Julius-Maximilians-Universit£t

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes


Nature 372: 549-552 (1994)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM81945
PNG
(CAS_39484 | CHEMBL105891 | CHEMBL108926 | CHEMBL27...)
Show SMILES C[n+]1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1
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1.30E+4n/an/an/an/an/an/an/an/a



Bayerische Julius-Maximilians-Universit£t

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes


Nature 372: 549-552 (1994)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50017681
PNG
((1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4...)
Show SMILES COc1ccc2nccc([C@H](O)C3CC4CCN3CC4C=C)c2c1
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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1.46E+4n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake (basolateral to cell) in OCT1-expressing MDCK cells


J Pharmacol Exp Ther 287: 800-5 (1998)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
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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1.70E+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)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50390980
PNG
(CHEMBL2074595)
Show SMILES Nc1ncnc2n(ccc12)[C@H]1C[C@H](O)[C@@H](CO)O1
Show InChI InChI=1S/C11H14N4O3/c12-10-6-1-2-15(11(6)14-5-13-10)9-3-7(17)8(4-16)18-9/h1-2,5,7-9,16-17H,3-4H2,(H2,12,13,14)/t7-,8+,9+/m0/s1
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1.90E+4n/an/an/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes


Biochem Pharmacol 60: 215-9 (2000)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50017712
PNG
((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...)
Show SMILES CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



Bayerische Julius-Maximilians-Universit£t

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes


Nature 372: 549-552 (1994)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
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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2.10E+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)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50420217
PNG
(METIPRENALINE)
Show SMILES COc1cc(ccc1O)C(O)CNC(C)C
Show InChI InChI=1S/C12H19NO3/c1-8(2)13-7-11(15)9-4-5-10(14)12(6-9)16-3/h4-6,8,11,13-15H,7H2,1-3H3
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2.50E+4n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake in OCT1-expressing HEK293 cells


Naunyn Schmiedebergs Arch Pharmacol 354: 320-6 (1997)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50420217
PNG
(METIPRENALINE)
Show SMILES COc1cc(ccc1O)C(O)CNC(C)C
Show InChI InChI=1S/C12H19NO3/c1-8(2)13-7-11(15)9-4-5-10(14)12(6-9)16-3/h4-6,8,11,13-15H,7H2,1-3H3
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4.30E+4n/an/an/an/an/an/an/an/a



Bayerische Julius-Maximilians-Universit£t

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes


Nature 372: 549-552 (1994)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
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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4.66E+4n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake (basolateral to cell) in OCT1-expressing MDCK cells


J Pharmacol Exp Ther 287: 800-5 (1998)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
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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4.70E+4n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


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


Pharm Res 18: 1528-34 (2001)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50028893
PNG
(4-(diisopropylamino)-2-phenyl-2-pyridin-2-ylbutana...)
Show SMILES CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C
Show InChI InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)
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6.20E+4n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


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


Pharm Res 18: 1528-34 (2001)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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6.43E+4n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake (basolateral to cell) in OCT1-expressing MDCK cells


J Pharmacol Exp Ther 287: 800-5 (1998)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50170653
PNG
((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
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7.20E+4n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake in OCT1-expressing HEK293 cells


Naunyn Schmiedebergs Arch Pharmacol 354: 320-6 (1997)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
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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1.00E+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)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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1.41E+5n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


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


Pharm Res 18: 1528-34 (2001)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
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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PubMed
2.86E+5n/an/an/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of dTub uptake in Xenopus laevis oocytes


Biochem Pharmacol 60: 215-9 (2000)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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3.90E+5n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


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


Pharm Res 18: 1528-34 (2001)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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PubMed
6.03E+5n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


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


Pharm Res 18: 1528-34 (2001)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
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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6.69E+5n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake (basolateral to cell) in OCT1-expressing MDCK cells


J Pharmacol Exp Ther 287: 800-5 (1998)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50420178
PNG
(GUANIDINE)
Show SMILES NC(N)=N
Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
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7.24E+5n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake (basolateral to cell) in OCT1-expressing MDCK cells


J Pharmacol Exp Ther 287: 800-5 (1998)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50373877
PNG
(Betaxin | CA inhibitor, 3 | THIAMINE (VIT B1) | Th...)
Show SMILES Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N
Show InChI InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1
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7.36E+5n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


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


Pharm Res 18: 1528-34 (2001)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50079455
PNG
(CHEMBL46486 | TETRAMETHYLAMMONIUM | tetramethylamm...)
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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9.05E+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)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
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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1.00E+6n/an/an/an/an/an/an/an/a



Bayerische Julius-Maximilians-Universit£t

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes


Nature 372: 549-552 (1994)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50079455
PNG
(CHEMBL46486 | TETRAMETHYLAMMONIUM | tetramethylamm...)
Show SMILES C[N+](C)(C)C
Show InChI InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1
UniProtKB/SwissProt

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1.00E+6n/an/an/an/an/an/an/an/a



Bayerische Julius-Maximilians-Universit£t

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes


Nature 372: 549-552 (1994)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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1.40E+6n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake in OCT1-expressing HEK293 cells


Mol Pharmacol 56: 1-10 (1999)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50029050
PNG
((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...)
Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
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1.60E+6n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


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


Pharm Res 18: 1528-34 (2001)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM85213
PNG
(Agmatine | CAS_306-60-5 | CHEMBL58343 | NSC_199 | ...)
Show SMILES NCCCCN=C(N)N
Show InChI InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
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8.60E+6n/an/an/an/an/an/an/an/a



University of Cologne

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of uptake of 0.1 uM MPP+ in OCT1-expressing 293 cells


J Pharmacol Exp Ther 304: 810-7 (2003)

More data for this
Ligand-Target Pair
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