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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 = 'BDBM75902'   
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))		BDBM75902
PNG
(5-bromanyl-4-(4-ethoxyphenoxy)-2-(4-propan-2-ylphe...)
Show SMILES CCOc1ccc(Oc2c(Br)cnn(-c3ccc(cc3)C(C)C)c2=O)cc1
Show InChI InChI=1S/C21H21BrN2O3/c1-4-26-17-9-11-18(12-10-17)27-20-19(22)13-23-24(21(20)25)16-7-5-15(6-8-16)14(2)3/h5-14H,4H2,1-3H3
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 720n/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))		BDBM75902
PNG
(5-bromanyl-4-(4-ethoxyphenoxy)-2-(4-propan-2-ylphe...)
Show SMILES CCOc1ccc(Oc2c(Br)cnn(-c3ccc(cc3)C(C)C)c2=O)cc1
Show InChI InChI=1S/C21H21BrN2O3/c1-4-26-17-9-11-18(12-10-17)27-20-19(22)13-23-24(21(20)25)16-7-5-15(6-8-16)14(2)3/h5-14H,4H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 724n/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