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Target
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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
BDBM75928
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
3
hits in this display
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Neuropeptides B/W receptor type 1
(Homo sapiens (Human))
BDBM75928
(5-chloranyl-2-(3-chlorophenyl)-4-(4-methoxyphenoxy...)
Show SMILES
COc1ccc(Oc2c(Cl)cnn(-c3cccc(Cl)c3)c2=O)cc1
Show InChI
InChI=1S/C17H12Cl2N2O3/c1-23-13-5-7-14(8-6-13)24-16-15(19)10-20-21(17(16)22)12-4-2-3-11(18)9-12/h2-10H,1H3
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Similars
PCBioAssay
n/a
n/a
689
n/a
n/a
n/a
n/a
n/a
n/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
Neuropeptides B/W receptor type 1
(Homo sapiens (Human))
BDBM75928
(5-chloranyl-2-(3-chlorophenyl)-4-(4-methoxyphenoxy...)
Show SMILES
COc1ccc(Oc2c(Cl)cnn(-c3cccc(Cl)c3)c2=O)cc1
Show InChI
InChI=1S/C17H12Cl2N2O3/c1-23-13-5-7-14(8-6-13)24-16-15(19)10-20-21(17(16)22)12-4-2-3-11(18)9-12/h2-10H,1H3
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
690
n/a
n/a
n/a
n/a
n/a
n/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
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human))
BDBM75928
(5-chloranyl-2-(3-chlorophenyl)-4-(4-methoxyphenoxy...)
Show SMILES
COc1ccc(Oc2c(Cl)cnn(-c3cccc(Cl)c3)c2=O)cc1
Show InChI
InChI=1S/C17H12Cl2N2O3/c1-23-13-5-7-14(8-6-13)24-16-15(19)10-20-21(17(16)22)12-4-2-3-11(18)9-12/h2-10H,1H3
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Similars
PCBioAssay
n/a
n/a
1.05E+4
n/a
n/a
n/a
n/a
n/a
n/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/Q2M32T72
More data for this
Ligand-Target Pair