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BDBM75898 2-(4-tert-butylphenyl)-5-chloranyl-4-(4-methoxyphenoxy)pyridazin-3-one::2-(4-tert-butylphenyl)-5-chloro-4-(4-methoxyphenoxy)-3-pyridazinone::2-(4-tert-butylphenyl)-5-chloro-4-(4-methoxyphenoxy)pyridazin-3-one::SR-02000000369::SR-02000000369-1::cid_46172921

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

InChI Key: InChIKey=ZBGYDEFUZMXMMM-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 = 75898   
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 1


(Homo sapiens (Human))
BDBM75898
PNG
(2-(4-tert-butylphenyl)-5-chloranyl-4-(4-methoxyphe...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3ccc(cc3)C(C)(C)C)c2=O)cc1
Show InChI InChI=1S/C21H21ClN2O3/c1-21(2,3)14-5-7-15(8-6-14)24-20(25)19(18(22)13-23-24)27-17-11-9-16(26-4)10-12-17/h5-13H,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.70E+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 type 1


(Homo sapiens (Human))
BDBM75898
PNG
(2-(4-tert-butylphenyl)-5-chloranyl-4-(4-methoxyphe...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3ccc(cc3)C(C)(C)C)c2=O)cc1
Show InChI InChI=1S/C21H21ClN2O3/c1-21(2,3)14-5-7-15(8-6-14)24-20(25)19(18(22)13-23-24)27-17-11-9-16(26-4)10-12-17/h5-13H,1-4H3
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KEGG

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 680n/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))
BDBM75898
PNG
(2-(4-tert-butylphenyl)-5-chloranyl-4-(4-methoxyphe...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3ccc(cc3)C(C)(C)C)c2=O)cc1
Show InChI InChI=1S/C21H21ClN2O3/c1-21(2,3)14-5-7-15(8-6-14)24-20(25)19(18(22)13-23-24)27-17-11-9-16(26-4)10-12-17/h5-13H,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 678n/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