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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuropeptides B/W receptor type 1' and Ligand = 'BDBM75921'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))
BDBM75921
PNG
(4-[4-chloro-5-(4-methoxyphenoxy)-6-oxo-1-pyridazin...)
Show SMILES CCOC(=O)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O
Show InChI InChI=1S/C20H17ClN2O5/c1-3-27-20(25)13-4-6-14(7-5-13)23-19(24)18(17(21)12-22-23)28-16-10-8-15(26-2)9-11-16/h4-12H,3H2,1-2H3
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human NPBWR1 expressed in HEK293T cells co-expressing Galphaqi3 assessed as calcium release after 15 mins by FLIPR assay assay


Bioorg Med Chem Lett 22: 7135-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.074
BindingDB Entry DOI: 10.7270/Q2WS8VDC
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))
BDBM75921
PNG
(4-[4-chloro-5-(4-methoxyphenoxy)-6-oxo-1-pyridazin...)
Show SMILES CCOC(=O)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O
Show InChI InChI=1S/C20H17ClN2O5/c1-3-27-20(25)13-4-6-14(7-5-13)23-19(24)18(17(21)12-22-23)28-16-10-8-15(26-2)9-11-16/h4-12H,3H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.20E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair