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PubMed code 27241692

Compile data set for download or QSAR
Found 5 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
Monocarboxylate transporter 1 (MCT1)


(Rattus norvegicus (Rat))
BDBM214702
PNG
(US9296728, 25)
Show SMILES OC(=O)c1cc2ccc(cc2oc1=O)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C24H19NO4/c26-23(27)21-13-19-11-12-20(14-22(19)29-24(21)28)25(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,26,27)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 90n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of MCT1 in rat brain endothelial 4 cells assessed as L-[14C]-Lactate Uptake after 15 mins by scintillation spectrometric analysis


Bioorg Med Chem Lett 26: 3282-3286 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.054
BindingDB Entry DOI: 10.7270/Q2BP04QP
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1 (MCT1)


(Rattus norvegicus (Rat))
BDBM214700
PNG
(US9296728, 23)
Show SMILES OC(=O)c1cc2ccc(cc2oc1=O)N(CC=C)CC=C
Show InChI InChI=1S/C16H15NO4/c1-3-7-17(8-4-2)12-6-5-11-9-13(15(18)19)16(20)21-14(11)10-12/h3-6,9-10H,1-2,7-8H2,(H,18,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of MCT1 in rat brain endothelial 4 cells assessed as L-[14C]-Lactate Uptake after 15 mins by scintillation spectrometric analysis


Bioorg Med Chem Lett 26: 3282-3286 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.054
BindingDB Entry DOI: 10.7270/Q2BP04QP
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1 (MCT1)


(Rattus norvegicus (Rat))
BDBM214701
PNG
(US9296728, 24)
Show SMILES OC(=O)c1cc2ccc(cc2oc1=O)N(CC#C)CC#C
Show InChI InChI=1S/C16H11NO4/c1-3-7-17(8-4-2)12-6-5-11-9-13(15(18)19)16(20)21-14(11)10-12/h1-2,5-6,9-10H,7-8H2,(H,18,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 210n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of MCT1 in rat brain endothelial 4 cells assessed as L-[14C]-Lactate Uptake after 15 mins by scintillation spectrometric analysis


Bioorg Med Chem Lett 26: 3282-3286 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.054
BindingDB Entry DOI: 10.7270/Q2BP04QP
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1 (MCT1)


(Rattus norvegicus (Rat))
BDBM50442702
PNG
(CHEMBL2442511 | US9296728, 26)
Show SMILES OC(=O)c1cc2ccc(cc2oc1=O)N1CCCC1
Show InChI InChI=1S/C14H13NO4/c16-13(17)11-7-9-3-4-10(15-5-1-2-6-15)8-12(9)19-14(11)18/h3-4,7-8H,1-2,5-6H2,(H,16,17)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 380n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of MCT1 in rat brain endothelial 4 cells assessed as L-[14C]-Lactate Uptake after 15 mins by scintillation spectrometric analysis


Bioorg Med Chem Lett 26: 3282-3286 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.054
BindingDB Entry DOI: 10.7270/Q2BP04QP
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1 (MCT1)


(Rattus norvegicus (Rat))
BDBM214699
PNG
(US9296728, 22)
Show SMILES CCCN(CCC)c1ccc2cc(C(O)=O)c(=O)oc2c1
Show InChI InChI=1S/C16H19NO4/c1-3-7-17(8-4-2)12-6-5-11-9-13(15(18)19)16(20)21-14(11)10-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 450n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of MCT1 in rat brain endothelial 4 cells assessed as L-[14C]-Lactate Uptake after 15 mins by scintillation spectrometric analysis


Bioorg Med Chem Lett 26: 3282-3286 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.054
BindingDB Entry DOI: 10.7270/Q2BP04QP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%