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BDBM50342725 CHEMBL1771263::N1-(3-(2,6-dichloro-4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-methyl-N2-(tetrahydro-2H-pyran-4-yl)propane-1,2-diamine

SMILES: COc1cc(Cl)c(-c2c(C)nn3c(NCC(C)(C)NC4CCOCC4)cc(C)nc23)c(Cl)c1

InChI Key: InChIKey=ATUVDIADSMQSEJ-UHFFFAOYSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50342725   
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))		BDBM50342725
PNG
(CHEMBL1771263 | N1-(3-(2,6-dichloro-4-methoxypheny...)
Show SMILES COc1cc(Cl)c(-c2c(C)nn3c(NCC(C)(C)NC4CCOCC4)cc(C)nc23)c(Cl)c1 |(-12.37,-47.14,;-10.82,-47.12,;-10.07,-45.78,;-10.85,-44.45,;-10.09,-43.11,;-10.87,-41.78,;-8.56,-43.11,;-7.8,-41.76,;-8.71,-40.51,;-10.25,-40.51,;-7.8,-39.26,;-6.33,-39.74,;-5,-38.97,;-5,-37.43,;-3.67,-36.66,;-2.33,-37.43,;-3.11,-38.76,;-1.57,-38.76,;-1,-36.66,;.33,-37.43,;.31,-38.97,;1.63,-39.75,;2.97,-39,;2.99,-37.46,;1.66,-36.67,;-3.66,-39.74,;-3.66,-41.29,;-2.32,-42.06,;-4.99,-42.06,;-6.33,-41.29,;-7.77,-44.42,;-6.23,-44.39,;-8.52,-45.76,)|
Show InChI InChI=1S/C24H31Cl2N5O2/c1-14-10-20(27-13-24(3,4)29-16-6-8-33-9-7-16)31-23(28-14)21(15(2)30-31)22-18(25)11-17(32-5)12-19(22)26/h10-12,16,27,29H,6-9,13H2,1-5H3
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Article
PubMed
 141n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human recombinant NPY Y1 receptor overexpressed in membrane of Sf9 cells

Bioorg Med Chem Lett 21: 2641-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.116
BindingDB Entry DOI: 10.7270/Q2BP0336
More data for this
Ligand-Target Pair