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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member B1' and Ligand = 'BDBM16449'   
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 B1


(Homo sapiens (Human))
BDBM16449
PNG
(6-[(2,4-dichlorobenzene)sulfonyl]-2,3-dihydropyrid...)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C10H6Cl2N2O3S/c11-6-1-2-8(7(12)5-6)18(16,17)10-4-3-9(15)13-14-10/h1-5H,(H,13,15)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/an/an/an/a7.024



Pfizer



Assay Description
The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...


J Med Chem 46: 2283-6 (2003)


Article DOI: 10.1021/jm034065z
BindingDB Entry DOI: 10.7270/Q2NV9GGM
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM16449
PNG
(6-[(2,4-dichlorobenzene)sulfonyl]-2,3-dihydropyrid...)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C10H6Cl2N2O3S/c11-6-1-2-8(7(12)5-6)18(16,17)10-4-3-9(15)13-14-10/h1-5H,(H,13,15)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/an/an/an/a7.024



Pfizer



Assay Description
The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair