BindingDB logo
myBDB logout

BDBM75901 5-chloranyl-2-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)pyridazin-3-one::5-chloro-2-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)-3-pyridazinone::5-chloro-2-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)pyridazin-3-one::ML181::SR-02000000372::SR-02000000372-1::cid_46172919

SMILES: COc1ccc(Oc2c(Cl)cnn(-c3cc(C)cc(C)c3)c2=O)cc1

InChI Key: InChIKey=RTIGBOQZDVBXCO-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 75901   
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))
BDBM75901
PNG
(5-chloranyl-2-(3,5-dimethylphenyl)-4-(4-methoxyphe...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cc(C)cc(C)c3)c2=O)cc1
Show InChI InChI=1S/C19H17ClN2O3/c1-12-8-13(2)10-14(9-12)22-19(23)18(17(20)11-21-22)25-16-6-4-15(24-3)5-7-16/h4-11H,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 3.90E+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))
BDBM75901
PNG
(5-chloranyl-2-(3,5-dimethylphenyl)-4-(4-methoxyphe...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cc(C)cc(C)c3)c2=O)cc1
Show InChI InChI=1S/C19H17ClN2O3/c1-12-8-13(2)10-14(9-12)22-19(23)18(17(20)11-21-22)25-16-6-4-15(24-3)5-7-16/h4-11H,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 272n/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
neuropeptides B/W receptor 1


(Homo sapiens (Human))
BDBM75901
PNG
(5-chloranyl-2-(3,5-dimethylphenyl)-4-(4-methoxyphe...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cc(C)cc(C)c3)c2=O)cc1
Show InChI InChI=1S/C19H17ClN2O3/c1-12-8-13(2)10-14(9-12)22-19(23)18(17(20)11-21-22)25-16-6-4-15(24-3)5-7-16/h4-11H,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 270n/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))
BDBM75901
PNG
(5-chloranyl-2-(3,5-dimethylphenyl)-4-(4-methoxyphe...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cc(C)cc(C)c3)c2=O)cc1
Show InChI InChI=1S/C19H17ClN2O3/c1-12-8-13(2)10-14(9-12)22-19(23)18(17(20)11-21-22)25-16-6-4-15(24-3)5-7-16/h4-11H,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 270n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human NPBWR1 expressed in HEK293 cells co-expressing Gqi3 assessed as inhibition of agonist-induced response by FLIPR ass...


Bioorg Med Chem Lett 23: 614-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.030
BindingDB Entry DOI: 10.7270/Q20V8F30
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens (Human))
BDBM75901
PNG
(5-chloranyl-2-(3,5-dimethylphenyl)-4-(4-methoxyphe...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cc(C)cc(C)c3)c2=O)cc1
Show InChI InChI=1S/C19H17ClN2O3/c1-12-8-13(2)10-14(9-12)22-19(23)18(17(20)11-21-22)25-16-6-4-15(24-3)5-7-16/h4-11H,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 281n/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/Q2XD1049
More data for this
Ligand-Target Pair