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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'POU domain, class 2, transcription factor 1'   
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
POU domain, class 2, transcription factor 1


(Homo sapiens (Human))
BDBM50228403
PNG
((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1
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MCE
MMDB
PC cid
PC sid
PDB
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Article
PubMed
n/an/a 4.10E+4n/an/an/an/an/an/a



Nippon Boehringer Ingelheim Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of OCT1 (unknown origin) expressed in HEK293 cells assessed as reduction of [14C]metformin substrate uptake at 100 uM by liquid scintillat...


Drug Metab Dispos 41: 149-58 (2012)


Article DOI: 10.1124/dmd.112.048470
BindingDB Entry DOI: 10.7270/Q2QC0574
More data for this
Ligand-Target Pair
POU domain, class 2, transcription factor 1


(Homo sapiens (Human))
BDBM50228403
PNG
((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1
PDB

UniProtKB/SwissProt

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AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.50E+4n/an/an/an/an/an/a



Nippon Boehringer Ingelheim Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of OCT1 (unknown origin) expressed in HEK293 cells assessed as reduction of [ethyl 1-14C]TEA substrate uptake at 100 uM by liquid scintill...


Drug Metab Dispos 41: 149-58 (2012)


Article DOI: 10.1124/dmd.112.048470
BindingDB Entry DOI: 10.7270/Q2QC0574
More data for this
Ligand-Target Pair
POU domain, class 2, transcription factor 1


(Homo sapiens (Human))
BDBM50576849
PNG
(CHEMBL4876008)
Show SMILES Cl.CCOC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CC(C)C |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of OCT1 (unknown origin) expressed in HEK293 cells


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112373
BindingDB Entry DOI: 10.7270/Q2XP78Q8
More data for this
Ligand-Target Pair