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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50442496   
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
Aldo-keto reductase family 1 member B10


(Homo sapiens (Human))
BDBM50442496
PNG
(CHEMBL2440413)
Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NCC(C)C
Show InChI InChI=1S/C21H22N2O4/c1-13(2)12-22-20(25)18-10-14-4-7-16(24)11-19(14)27-21(18)23-15-5-8-17(26-3)9-6-15/h4-11,13,24H,12H2,1-3H3,(H,22,25)/b23-21-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH


Bioorg Med Chem 21: 6378-84 (2013)


Article DOI: 10.1016/j.bmc.2013.08.059
BindingDB Entry DOI: 10.7270/Q25T3MX4
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50442496
PNG
(CHEMBL2440413)
Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NCC(C)C
Show InChI InChI=1S/C21H22N2O4/c1-13(2)12-22-20(25)18-10-14-4-7-16(24)11-19(14)27-21(18)23-15-5-8-17(26-3)9-6-15/h4-11,13,24H,12H2,1-3H3,(H,22,25)/b23-21-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1B1 expressed in Escherichia coli by fluorescence assay in presence of NADPH


Bioorg Med Chem 21: 6378-84 (2013)


Article DOI: 10.1016/j.bmc.2013.08.059
BindingDB Entry DOI: 10.7270/Q25T3MX4
More data for this
Ligand-Target Pair