BDBM50305522 5-(3-(3-(2-chlorophenoxy)azetidin-1-yl)-5-(methoxymethyl)-4H-1,2,4-triazol-4-yl)-2-methoxypyridine::CHEMBL590349

SMILES COCc1nnc(N2CC(C2)Oc2ccccc2Cl)n1-c1ccc(OC)nc1

InChI Key InChIKey=CRPOHCGFYLWZQB-UHFFFAOYSA-N

Data  3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50305522   

TargetOxytocin receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50305522(5-(3-(3-(2-chlorophenoxy)azetidin-1-yl)-5-(methoxy...)
Show SMILES COCc1nnc(N2CC(C2)Oc2ccccc2Cl)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C19H20ClN5O3/c1-26-12-17-22-23-19(25(17)13-7-8-18(27-2)21-9-13)24-10-14(11-24)28-16-6-4-3-5-15(16)20/h3-9,14H,10-12H2,1-2H3
Affinity DataKi:  32.5nMAssay Description:Antagonist activity at human cloned oxytocin receptor by cell based beta lactamase assayMore data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50305522(5-(3-(3-(2-chlorophenoxy)azetidin-1-yl)-5-(methoxy...)
Show SMILES COCc1nnc(N2CC(C2)Oc2ccccc2Cl)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C19H20ClN5O3/c1-26-12-17-22-23-19(25(17)13-7-8-18(27-2)21-9-13)24-10-14(11-24)28-16-6-4-3-5-15(16)20/h3-9,14H,10-12H2,1-2H3
Affinity DataKi:  1.34E+3nMAssay Description:Antagonist activity at human cloned vasopressin V1a receptor by cell based beta lactamase assayMore data for this Ligand-Target Pair
TargetVasopressin V2 receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50305522(5-(3-(3-(2-chlorophenoxy)azetidin-1-yl)-5-(methoxy...)
Show SMILES COCc1nnc(N2CC(C2)Oc2ccccc2Cl)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C19H20ClN5O3/c1-26-12-17-22-23-19(25(17)13-7-8-18(27-2)21-9-13)24-10-14(11-24)28-16-6-4-3-5-15(16)20/h3-9,14H,10-12H2,1-2H3
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