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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 = 'BDBM75910'   
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))
BDBM75910
PNG
(5-(4-methoxyphenoxy)-6-oxo-1-(4-propan-2-ylphenyl)...)
Show SMILES COC(=O)c1cnn(-c2ccc(cc2)C(C)C)c(=O)c1Oc1ccc(OC)cc1
Show InChI InChI=1S/C22H22N2O5/c1-14(2)15-5-7-16(8-6-15)24-21(25)20(19(13-23-24)22(26)28-4)29-18-11-9-17(27-3)10-12-18/h5-14H,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70E+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))
BDBM75910
PNG
(5-(4-methoxyphenoxy)-6-oxo-1-(4-propan-2-ylphenyl)...)
Show SMILES COC(=O)c1cnn(-c2ccc(cc2)C(C)C)c(=O)c1Oc1ccc(OC)cc1
Show InChI InChI=1S/C22H22N2O5/c1-14(2)15-5-7-16(8-6-15)24-21(25)20(19(13-23-24)22(26)28-4)29-18-11-9-17(27-3)10-12-18/h5-14H,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.70E+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