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BDBM42556 3-[(2,6-dichlorophenyl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine::3-[(2,6-dichlorophenyl)methylthio]-5-(1-naphthalenylmethyl)-1,2,4-triazol-4-amine::3-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine::MLS000409073::SMR000264033::[3-[(2,6-dichlorobenzyl)thio]-5-(1-naphthylmethyl)-1,2,4-triazol-4-yl]amine::cid_2376964

SMILES: Nn1c(Cc2cccc3ccccc23)nnc1SCc1c(Cl)cccc1Cl

InChI Key: InChIKey=MMTMHLFKQRYSQY-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 = 42556   
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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM42556
PNG
(3-[(2,6-dichlorophenyl)methylsulfanyl]-5-(naphthal...)
Show SMILES Nn1c(Cc2cccc3ccccc23)nnc1SCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C20H16Cl2N4S/c21-17-9-4-10-18(22)16(17)12-27-20-25-24-19(26(20)23)11-14-7-3-6-13-5-1-2-8-15(13)14/h1-10H,11-12,23H2
PDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.10E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair