BDBM50305506 5-(3-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-5-(methoxymethyl)-4H-1,2,4-triazol-4-yl)-2-methoxypyridine::CHEMBL594828

SMILES COCc1nnc(N2CC(C2)Oc2ccc(F)cc2Cl)n1-c1ccc(OC)nc1

InChI Key InChIKey=HNIFCPBQMKPRCX-UHFFFAOYSA-N

Data  11 KI  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50305506   

TargetOxytocin receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50305506(5-(3-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-5...)
Affinity DataKi:  9.5nMAssay Description:Antagonist activity at human cloned oxytocin receptor by cell based beta lactamase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50305506(5-(3-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-5...)
Affinity DataKi:  9.5nMAssay Description:Displacement of [3H]-oxytocin from oxytocin receptor in human uterus tissueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50305506(5-(3-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-5...)
Affinity DataKi:  9.5nMAssay Description:Displacement of [3H]-oxytocin from human oxytocin receptor expressed in HEK293-EBNA cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
Drugmoldesign

Curated by ChEMBL
LigandPNGBDBM50305506(5-(3-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-5...)
Affinity DataKi:  1.12E+3nMAssay Description:Displacement of [3H]-vasopressin from human vasopressin V1a receptor expressed in CHO cells at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
Drugmoldesign

Curated by ChEMBL
LigandPNGBDBM50305506(5-(3-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-5...)
Affinity DataKi:  1.12E+3nMAssay Description:Antagonist activity at human cloned vasopressin V1a receptor by cell based beta lactamase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50305506(5-(3-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-5...)
Affinity DataKi:  3.00E+3nMAssay Description:Binding affinity to kappa opioid receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGrowth hormone secretagogue receptor type 1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50305506(5-(3-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-5...)
Affinity DataKi:  4.40E+3nMAssay Description:Binding affinity to ghrelin receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50305506(5-(3-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-5...)
Affinity DataKi:  6.50E+3nMAssay Description:Binding affinity to NK1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1b receptor(Homo sapiens (Human))
Drugmoldesign

Curated by ChEMBL
LigandPNGBDBM50305506(5-(3-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-5...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]-vasopressin from human vasopressin V1b receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50305506(5-(3-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-5...)
Affinity DataKi: >1.00E+4nMAssay Description:Antagonist activity at human cloned vasopressin V2 receptor by cell based beta lactamase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50305506(5-(3-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-5...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]-vasopressin from human vasopressin V2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50305506(5-(3-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-5...)
Affinity DataIC50:  600nMAssay Description:Antagonist activity at human OTR receptor expressed in HEK293FT cells assessed as inhibition of LIT-001-induced calcium release by Aequorin based ass...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50305506(5-(3-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-5...)
Affinity DataIC50:  1.53E+3nMAssay Description:Antagonist activity at human V2 receptor expressed in HEK293FT cells assessed as inhibition of AVP-induced calcium release by Aequorin based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50305506(5-(3-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-5...)
Affinity DataIC50:  2.62E+3nMAssay Description:Antagonist activity at human V2 receptor expressed in HEK293FT cells assessed as inhibition of LIT-001-induced response incubated for 30 mins by beta...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50305506(5-(3-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-5...)
Affinity DataIC50:  63nMAssay Description:Antagonist activity at human OTR receptor expressed in HEK293FT cells assessed as inhibition of LIT-001-induced response incubated for 30 mins by bet...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50305506(5-(3-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-5...)
Affinity DataIC50:  23nMAssay Description:Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed