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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 = 'BDBM75887'   
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))
BDBM75887
PNG
(5-chloranyl-4-[4-(hydroxymethyl)phenoxy]-2-(4-prop...)
Show SMILES CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(CO)cc2)c1=O
Show InChI InChI=1S/C20H19ClN2O3/c1-13(2)15-5-7-16(8-6-15)23-20(25)19(18(21)11-22-23)26-17-9-3-14(12-24)4-10-17/h3-11,13,24H,12H2,1-2H3
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 650n/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))
BDBM75887
PNG
(5-chloranyl-4-[4-(hydroxymethyl)phenoxy]-2-(4-prop...)
Show SMILES CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(CO)cc2)c1=O
Show InChI InChI=1S/C20H19ClN2O3/c1-13(2)15-5-7-16(8-6-15)23-20(25)19(18(21)11-22-23)26-17-9-3-14(12-24)4-10-17/h3-11,13,24H,12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 650n/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