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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 22 member 2' and Ligand = 'BDBM50420192'   
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 2


(Homo sapiens (Human))
BDBM50420192
PNG
(CHEMBL2074851)
Show SMILES CC[n+]1c(CC2C=C(C)N=C(N2C)c2ccccc2)ccc2ccccc12 |c:9,t:6|
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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210n/an/an/an/an/an/an/an/a



Anatomisches Institut der Bayerischen Julius-Maximilians-Universit£t

Curated by ChEMBL


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


DNA Cell Biol 16: 871-81 (1997)


Article DOI: 10.1089/dna.1997.16.871
BindingDB Entry DOI: 10.7270/Q2R2148R
More data for this
Ligand-Target Pair
Solute carrier family 22 member 2


(RAT)
BDBM50420192
PNG
(CHEMBL2074851)
Show SMILES CC[n+]1c(CC2C=C(C)N=C(N2C)c2ccccc2)ccc2ccccc12 |c:9,t:6|
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

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861n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake (apical to cell) in OCT2-expressing NIH3T3 cells


Toxicol Sci 47: 181-6 (1999)


BindingDB Entry DOI: 10.7270/Q2F1910T
More data for this
Ligand-Target Pair
Solute carrier family 22 member 2


(RAT)
BDBM50420192
PNG
(CHEMBL2074851)
Show SMILES CC[n+]1c(CC2C=C(C)N=C(N2C)c2ccccc2)ccc2ccccc12 |c:9,t:6|
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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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Manitoba

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake (in the presence of bicarbonate) (TEA: 20 uM) in OCT2-expressing HEK293 cells


J Pharmacol Exp Ther 303: 959-68 (2002)


Article DOI: 10.1124/jpet.102.038885
BindingDB Entry DOI: 10.7270/Q28W3FTB
More data for this
Ligand-Target Pair
Solute carrier family 22 member 2


(RAT)
BDBM50420192
PNG
(CHEMBL2074851)
Show SMILES CC[n+]1c(CC2C=C(C)N=C(N2C)c2ccccc2)ccc2ccccc12 |c:9,t:6|
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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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Manitoba

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake (in the absence of bicarbonate) (TEA: 20 uM) in OCT2-expressing HEK293 cells


J Pharmacol Exp Ther 303: 959-68 (2002)


Article DOI: 10.1124/jpet.102.038885
BindingDB Entry DOI: 10.7270/Q28W3FTB
More data for this
Ligand-Target Pair
Solute carrier family 22 member 2


(RAT)
BDBM50420192
PNG
(CHEMBL2074851)
Show SMILES CC[n+]1c(CC2C=C(C)N=C(N2C)c2ccccc2)ccc2ccccc12 |c:9,t:6|
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

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PC sid
UniChem
Article
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n/an/a 2.56E+3n/an/an/an/an/an/a



Institute of Anatomy of the Bayerische Julius-Maximilians-Universit£t

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes


Am J Physiol Renal Physiol 281: 454-68 (2001)


Article DOI: 10.1152/ajprenal.2001.281.3.F454
BindingDB Entry DOI: 10.7270/Q2BR8TF3
More data for this
Ligand-Target Pair
Solute carrier family 22 member 2


(RAT)
BDBM50420192
PNG
(CHEMBL2074851)
Show SMILES CC[n+]1c(CC2C=C(C)N=C(N2C)c2ccccc2)ccc2ccccc12 |c:9,t:6|
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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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Manitoba

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Amantadine uptake (in the presence of bicarbonate) (Amantadine: 10 uM) in OCT2-expressing HEK293 cells


J Pharmacol Exp Ther 303: 959-68 (2002)


Article DOI: 10.1124/jpet.102.038885
BindingDB Entry DOI: 10.7270/Q28W3FTB
More data for this
Ligand-Target Pair
Solute carrier family 22 member 2


(RAT)
BDBM50420192
PNG
(CHEMBL2074851)
Show SMILES CC[n+]1c(CC2C=C(C)N=C(N2C)c2ccccc2)ccc2ccccc12 |c:9,t:6|
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

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PC sid
UniChem
Article
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Manitoba

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Amantadine uptake (in the presence of bicarbonate) (Amantadine: 10 uM) in OCT2-expressing HEK293 cells


J Pharmacol Exp Ther 303: 959-68 (2002)


Article DOI: 10.1124/jpet.102.038885
BindingDB Entry DOI: 10.7270/Q28W3FTB
More data for this
Ligand-Target Pair