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BDBM75887 5-chloranyl-4-[4-(hydroxymethyl)phenoxy]-2-(4-propan-2-ylphenyl)pyridazin-3-one::5-chloro-4-(4-methylolphenoxy)-2-p-cumenyl-pyridazin-3-one::5-chloro-4-[4-(hydroxymethyl)phenoxy]-2-(4-propan-2-ylphenyl)-3-pyridazinone::5-chloro-4-[4-(hydroxymethyl)phenoxy]-2-(4-propan-2-ylphenyl)pyridazin-3-one::SR-02000000355::SR-02000000355-1::cid_46172918

SMILES: CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(CO)cc2)c1=O

InChI Key: InChIKey=BRSNXYWTPOJCCY-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 = 75887   
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))
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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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.70E+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)


BindingDB Entry DOI: 10.7270/Q2M32T72
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 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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UniChem

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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 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
UniProtKB/TrEMBL

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