BindingDB logo
myBDB logout

BDBM45301 1-(6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-piperidine-4-carboxylic acid phenylamide::1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-phenyl-4-piperidinecarboxamide::1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-phenyl-isonipecotamide::1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-phenyl-piperidine-4-carboxamide::1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-phenylpiperidine-4-carboxamide::MLS000068022::SMR000007708::cid_650397

SMILES: CCc1c(C)nc2ncnn2c1N1CCC(CC1)C(=O)Nc1ccccc1

InChI Key: InChIKey=VCQJSGVAQYDNKO-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 45301   
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
Factor XIIa


(Homo sapiens (Human))
BDBM45301
PNG
(1-(6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidi...)
Show SMILES CCc1c(C)nc2ncnn2c1N1CCC(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C20H24N6O/c1-3-17-14(2)23-20-21-13-22-26(20)19(17)25-11-9-15(10-12-25)18(27)24-16-7-5-4-6-8-16/h4-8,13,15H,3,9-12H2,1-2H3,(H,24,27)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21G0JQS
More data for this
Ligand-Target Pair