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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 = 'BDBM75916'   
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))
BDBM75916
PNG
(5-chloranyl-4-(4-methoxyphenoxy)-2-[(4-methylpheny...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(Cc3ccc(C)cc3)c2=O)cc1
Show InChI InChI=1S/C19H17ClN2O3/c1-13-3-5-14(6-4-13)12-22-19(23)18(17(20)11-21-22)25-16-9-7-15(24-2)8-10-16/h3-11H,12H2,1-2H3
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human NPBWR1 expressed in HEK293 cells co-expressing Gqi3 assessed as inhibition of agonist-induced response by FLIPR ass...


Bioorg Med Chem Lett 23: 614-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.030
BindingDB Entry DOI: 10.7270/Q20V8F30
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))
BDBM75916
PNG
(5-chloranyl-4-(4-methoxyphenoxy)-2-[(4-methylpheny...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(Cc3ccc(C)cc3)c2=O)cc1
Show InChI InChI=1S/C19H17ClN2O3/c1-13-3-5-14(6-4-13)12-22-19(23)18(17(20)11-21-22)25-16-9-7-15(24-2)8-10-16/h3-11H,12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.70E+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