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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 363.1
BDBM50401583
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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))
BDBM50401583
PNG
(CHEMBL2207525)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3ccc(Cl)cc3)c2=O)cc1
Show InChI InChI=1S/C17H12Cl2N2O3/c1-23-13-6-8-14(9-7-13)24-16-15(19)10-20-21(17(16)22)12-4-2-11(18)3-5-12/h2-10H,1H3
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.77E+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