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BDBM46003 3-cyclopentyl-N-(1H-1,2,4-triazol-5-yl)propanamide::3-cyclopentyl-N-(1H-1,2,4-triazol-5-yl)propionamide::MLS-0146325.0001::cid_2199980

SMILES: O=C(CCC1CCCC1)Nc1nnc[nH]1

InChI Key: InChIKey=APIHMUXUQGGBGB-UHFFFAOYSA-N

Data: 2 IC50  1 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 3 hits for monomerid = 46003   
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
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM46003
PNG
(3-cyclopentyl-N-(1H-1,2,4-triazol-5-yl)propanamide...)
Show SMILES O=C(CCC1CCCC1)Nc1nnc[nH]1
Show InChI InChI=1S/C10H16N4O/c15-9(13-10-11-7-12-14-10)6-5-8-3-1-2-4-8/h7-8H,1-6H2,(H2,11,12,13,14,15)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RRG
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM46003
PNG
(3-cyclopentyl-N-(1H-1,2,4-triazol-5-yl)propanamide...)
Show SMILES O=C(CCC1CCCC1)Nc1nnc[nH]1
Show InChI InChI=1S/C10H16N4O/c15-9(13-10-11-7-12-14-10)6-5-8-3-1-2-4-8/h7-8H,1-6H2,(H2,11,12,13,14,15)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.53E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q26Q1VPD
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM46003
PNG
(3-cyclopentyl-N-(1H-1,2,4-triazol-5-yl)propanamide...)
Show SMILES O=C(CCC1CCCC1)Nc1nnc[nH]1
Show InChI InChI=1S/C10H16N4O/c15-9(13-10-11-7-12-14-10)6-5-8-3-1-2-4-8/h7-8H,1-6H2,(H2,11,12,13,14,15)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RRG
More data for this
Ligand-Target Pair