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2 similar compounds to monomer 35901

Compile data set for download or QSAR
Wt: 258.2
BDBM50385961
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Wt: 258.2
BDBM50385710
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50385961,50385710   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50385710
PNG
(CHEMBL2043300)
Show SMILES OC(=O)c1ccccc1Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H10N2O4/c16-13(17)11-6-1-2-7-12(11)14-9-4-3-5-10(8-9)15(18)19/h1-8,14H,(H,16,17)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 510n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50385961
PNG
(CHEMBL1621187)
Show SMILES OC(=O)c1cc(ccc1Nc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C13H10N2O4/c16-13(17)11-8-10(15(18)19)6-7-12(11)14-9-4-2-1-3-5-9/h1-8,14H,(H,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin V expressed in Pichia pastoris using Z-Phe-Arg-MCA as substrate by fluorometric analysis


Eur J Med Chem 54: 10-21 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.002
BindingDB Entry DOI: 10.7270/Q22J6CW7
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50385961
PNG
(CHEMBL1621187)
Show SMILES OC(=O)c1cc(ccc1Nc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C13H10N2O4/c16-13(17)11-8-10(15(18)19)6-7-12(11)14-9-4-2-1-3-5-9/h1-8,14H,(H,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30E+4n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L expressed in Pichia pastoris using Z-Phe-Arg-MCA as substrate by fluorometric analysis


Eur J Med Chem 54: 10-21 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.002
BindingDB Entry DOI: 10.7270/Q22J6CW7
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50385710
PNG
(CHEMBL2043300)
Show SMILES OC(=O)c1ccccc1Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H10N2O4/c16-13(17)11-6-1-2-7-12(11)14-9-4-3-5-10(8-9)15(18)19/h1-8,14H,(H,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair