BindingDB logo
myBDB logout

PubMed code 8878062

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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
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
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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)


BindingDB Entry DOI: 10.7270/Q2MG7QSP
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
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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)


BindingDB Entry DOI: 10.7270/Q2MG7QSP
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
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
PubMed
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)


BindingDB Entry DOI: 10.7270/Q2MG7QSP
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)
UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
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)


BindingDB Entry DOI: 10.7270/Q2MG7QSP
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
UniProtKB/SwissProt

GoogleScholar
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Similars

PubMed
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)


BindingDB Entry DOI: 10.7270/Q2MG7QSP
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
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
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)


BindingDB Entry DOI: 10.7270/Q2MG7QSP
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
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
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)


BindingDB Entry DOI: 10.7270/Q2MG7QSP
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
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
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)


BindingDB Entry DOI: 10.7270/Q2MG7QSP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%