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BDBM75907 4-(4-methoxyphenoxy)-5-methylol-2-p-cumenyl-pyridazin-3-one::5-(hydroxymethyl)-4-(4-methoxyphenoxy)-2-(4-propan-2-ylphenyl)-3-pyridazinone::5-(hydroxymethyl)-4-(4-methoxyphenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one::SR-02000000429::SR-02000000429-1::cid_46835804

SMILES: COc1ccc(Oc2c(CO)cnn(-c3ccc(cc3)C(C)C)c2=O)cc1

InChI Key: InChIKey=CAGHPVWBRNGOID-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 75907   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM75907
PNG
(4-(4-methoxyphenoxy)-5-methylol-2-p-cumenyl-pyrida...)
Show SMILES COc1ccc(Oc2c(CO)cnn(-c3ccc(cc3)C(C)C)c2=O)cc1
Show InChI InChI=1S/C21H22N2O4/c1-14(2)15-4-6-17(7-5-15)23-21(25)20(16(13-24)12-22-23)27-19-10-8-18(26-3)9-11-19/h4-12,14,24H,13H2,1-3H3
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antibodypedia
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PC sid
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Article
PCBioAssay
n/an/a 7.40E+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)


Article DOI: 10.1111/cbdd.12352
BindingDB Entry DOI: 10.7270/Q2M32T72
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens (Human))
BDBM75907
PNG
(4-(4-methoxyphenoxy)-5-methylol-2-p-cumenyl-pyrida...)
Show SMILES COc1ccc(Oc2c(CO)cnn(-c3ccc(cc3)C(C)C)c2=O)cc1
Show InChI InChI=1S/C21H22N2O4/c1-14(2)15-4-6-17(7-5-15)23-21(25)20(16(13-24)12-22-23)27-19-10-8-18(26-3)9-11-19/h4-12,14,24H,13H2,1-3H3
Reactome pathway
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UniProtKB/TrEMBL

antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 5.60E+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 1


(Homo sapiens (Human))
BDBM75907
PNG
(4-(4-methoxyphenoxy)-5-methylol-2-p-cumenyl-pyrida...)
Show SMILES COc1ccc(Oc2c(CO)cnn(-c3ccc(cc3)C(C)C)c2=O)cc1
Show InChI InChI=1S/C21H22N2O4/c1-14(2)15-4-6-17(7-5-15)23-21(25)20(16(13-24)12-22-23)27-19-10-8-18(26-3)9-11-19/h4-12,14,24H,13H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 5.60E+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)


Article DOI: 10.1002/cbic.201402321
BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair