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BDBM50415097 CHEMBL570897

SMILES: [O-][N+](=O)c1ccc(N2CCCC2)c2ccccc12

InChI Key: InChIKey=FLUWUUPEIABQQO-UHFFFAOYSA-N

Data: 5 KI  1 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50415097   
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
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50415097
PNG
(CHEMBL570897)
Show SMILES [O-][N+](=O)c1ccc(N2CCCC2)c2ccccc12
Show InChI InChI=1S/C14H14N2O2/c17-16(18)14-8-7-13(15-9-3-4-10-15)11-5-1-2-6-12(11)14/h1-2,5-8H,3-4,9-10H2
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3.40E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate


J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50415097
PNG
(CHEMBL570897)
Show SMILES [O-][N+](=O)c1ccc(N2CCCC2)c2ccccc12
Show InChI InChI=1S/C14H14N2O2/c17-16(18)14-8-7-13(15-9-3-4-10-15)11-5-1-2-6-12(11)14/h1-2,5-8H,3-4,9-10H2
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1.70E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-inh...


J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50415097
PNG
(CHEMBL570897)
Show SMILES [O-][N+](=O)c1ccc(N2CCCC2)c2ccccc12
Show InChI InChI=1S/C14H14N2O2/c17-16(18)14-8-7-13(15-9-3-4-10-15)11-5-1-2-6-12(11)14/h1-2,5-8H,3-4,9-10H2
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2.45E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant cathepsin L endopeptidase activity using Z-FR-AMC substrate expressed in Escherichia coli assessed as inh...


J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin (H and K)


(Homo sapiens (Human))
BDBM50415097
PNG
(CHEMBL570897)
Show SMILES [O-][N+](=O)c1ccc(N2CCCC2)c2ccccc12
Show InChI InChI=1S/C14H14N2O2/c17-16(18)14-8-7-13(15-9-3-4-10-15)11-5-1-2-6-12(11)14/h1-2,5-8H,3-4,9-10H2
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2.51E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human liver cathepsin H endopeptidase activity using R-AMC substrate assessed as inhibition constant for enzyme-substrate...


J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50415097
PNG
(CHEMBL570897)
Show SMILES [O-][N+](=O)c1ccc(N2CCCC2)c2ccccc12
Show InChI InChI=1S/C14H14N2O2/c17-16(18)14-8-7-13(15-9-3-4-10-15)11-5-1-2-6-12(11)14/h1-2,5-8H,3-4,9-10H2
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UniChem
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2.77E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-sub...


J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50415097
PNG
(CHEMBL570897)
Show SMILES [O-][N+](=O)c1ccc(N2CCCC2)c2ccccc12
Show InChI InChI=1S/C14H14N2O2/c17-16(18)14-8-7-13(15-9-3-4-10-15)11-5-1-2-6-12(11)14/h1-2,5-8H,3-4,9-10H2
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UniChem
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n/an/an/an/a 6.31n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...


J Med Chem 52: 7186-91 (2009)


Article DOI: 10.1021/jm901149c
BindingDB Entry DOI: 10.7270/Q2SJ1MV9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50415097
PNG
(CHEMBL570897)
Show SMILES [O-][N+](=O)c1ccc(N2CCCC2)c2ccccc12
Show InChI InChI=1S/C14H14N2O2/c17-16(18)14-8-7-13(15-9-3-4-10-15)11-5-1-2-6-12(11)14/h1-2,5-8H,3-4,9-10H2
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) after 3 hrs


Bioorg Med Chem 23: 2568-78 (2015)


Article DOI: 10.1016/j.bmc.2015.03.032
BindingDB Entry DOI: 10.7270/Q2JM2C94
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50415097
PNG
(CHEMBL570897)
Show SMILES [O-][N+](=O)c1ccc(N2CCCC2)c2ccccc12
Show InChI InChI=1S/C14H14N2O2/c17-16(18)14-8-7-13(15-9-3-4-10-15)11-5-1-2-6-12(11)14/h1-2,5-8H,3-4,9-10H2
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NCI pathway
Reactome pathway
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 41n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Modulation of androgen receptor (unknown origin) expressed in Cos7 cells assessed as luciferase activity after 24 hrs


Bioorg Med Chem 23: 2568-78 (2015)


Article DOI: 10.1016/j.bmc.2015.03.032
BindingDB Entry DOI: 10.7270/Q2JM2C94
More data for this
Ligand-Target Pair