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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50293435   
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 C1


(Homo sapiens (Human))
BDBM50293435
PNG
(2-(4-Chlorobenzylidene)cyclopentanone | CHEMBL5623...)
Show SMILES Clc1ccc(C=C2CCCC2=O)cc1 |w:5.4|
Show InChI InChI=1S/C12H11ClO/c13-11-6-4-9(5-7-11)8-10-2-1-3-12(10)14/h4-8H,1-3H2
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
1.72E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged AKR1C1 expressed in Escherichia coli BL21


Eur J Med Chem 44: 2563-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.028
BindingDB Entry DOI: 10.7270/Q2319VW9
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C1


(Homo sapiens (Human))
BDBM50293435
PNG
(2-(4-Chlorobenzylidene)cyclopentanone | CHEMBL5623...)
Show SMILES Clc1ccc(C=C2CCCC2=O)cc1 |w:5.4|
Show InChI InChI=1S/C12H11ClO/c13-11-6-4-9(5-7-11)8-10-2-1-3-12(10)14/h4-8H,1-3H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.72E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged AKR1C1 expressed in Escherichia coli BL21


Eur J Med Chem 44: 2563-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.028
BindingDB Entry DOI: 10.7270/Q2319VW9
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C3


(Homo sapiens (Human))
BDBM50293435
PNG
(2-(4-Chlorobenzylidene)cyclopentanone | CHEMBL5623...)
Show SMILES Clc1ccc(C=C2CCCC2=O)cc1 |w:5.4|
Show InChI InChI=1S/C12H11ClO/c13-11-6-4-9(5-7-11)8-10-2-1-3-12(10)14/h4-8H,1-3H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.34E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged AKR1C3 expressed in Escherichia coli BL21


Eur J Med Chem 44: 2563-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.028
BindingDB Entry DOI: 10.7270/Q2319VW9
More data for this
Ligand-Target Pair