BDBM50263856 5-(3-(4-ethoxy-3-methylphenyl)-5-(ethoxymethyl)-4H-1,2,4-triazol-4-yl)-2-methoxypyridine::CHEMBL492029

SMILES CCOCc1nnc(-c2ccc(OCC)c(C)c2)n1-c1ccc(OC)nc1

InChI Key InChIKey=CMWAFGVDYAWHSS-UHFFFAOYSA-N

Data  8 KI

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50263856   

TargetOxytocin receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263856(5-(3-(4-ethoxy-3-methylphenyl)-5-(ethoxymethyl)-4H...)
Show SMILES CCOCc1nnc(-c2ccc(OCC)c(C)c2)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C20H24N4O3/c1-5-26-13-18-22-23-20(15-7-9-17(27-6-2)14(3)11-15)24(18)16-8-10-19(25-4)21-12-16/h7-12H,5-6,13H2,1-4H3
Affinity DataKi:  28nMAssay Description:Antagonist activity at human oxytocin receptor by cell based beta-lactamase reporter gene assayMore data for this Ligand-Target Pair
TargetOxytocin receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263856(5-(3-(4-ethoxy-3-methylphenyl)-5-(ethoxymethyl)-4H...)
Show SMILES CCOCc1nnc(-c2ccc(OCC)c(C)c2)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C20H24N4O3/c1-5-26-13-18-22-23-20(15-7-9-17(27-6-2)14(3)11-15)24(18)16-8-10-19(25-4)21-12-16/h7-12H,5-6,13H2,1-4H3
Affinity DataKi:  28nMAssay Description:Displacement of [3H]-oxytocin from human oxytocin receptor expressed in HEK293-EBNA cellsMore data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
DrugMolDesign

Curated by ChEMBL
LigandPNGBDBM50263856(5-(3-(4-ethoxy-3-methylphenyl)-5-(ethoxymethyl)-4H...)
Show SMILES CCOCc1nnc(-c2ccc(OCC)c(C)c2)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C20H24N4O3/c1-5-26-13-18-22-23-20(15-7-9-17(27-6-2)14(3)11-15)24(18)16-8-10-19(25-4)21-12-16/h7-12H,5-6,13H2,1-4H3
Affinity DataKi:  549nMAssay Description:Displacement of [3H]-vasopressin from human vasopressin V1a receptor expressed in CHO cells at 10 uMMore data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
DrugMolDesign

Curated by ChEMBL
LigandPNGBDBM50263856(5-(3-(4-ethoxy-3-methylphenyl)-5-(ethoxymethyl)-4H...)
Show SMILES CCOCc1nnc(-c2ccc(OCC)c(C)c2)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C20H24N4O3/c1-5-26-13-18-22-23-20(15-7-9-17(27-6-2)14(3)11-15)24(18)16-8-10-19(25-4)21-12-16/h7-12H,5-6,13H2,1-4H3
Affinity DataKi:  594nMAssay Description:Antagonist activity at human vasopressin V1a receptor by cell based beta-lactamase reporter gene assayMore data for this Ligand-Target Pair
TargetVasopressin V1b receptor(Homo sapiens (Human))
DrugMolDesign

Curated by ChEMBL
LigandPNGBDBM50263856(5-(3-(4-ethoxy-3-methylphenyl)-5-(ethoxymethyl)-4H...)
Show SMILES CCOCc1nnc(-c2ccc(OCC)c(C)c2)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C20H24N4O3/c1-5-26-13-18-22-23-20(15-7-9-17(27-6-2)14(3)11-15)24(18)16-8-10-19(25-4)21-12-16/h7-12H,5-6,13H2,1-4H3
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
TargetVasopressin V2 receptor(Homo sapiens (Human))
DrugMolDesign

Curated by ChEMBL
LigandPNGBDBM50263856(5-(3-(4-ethoxy-3-methylphenyl)-5-(ethoxymethyl)-4H...)
Show SMILES CCOCc1nnc(-c2ccc(OCC)c(C)c2)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C20H24N4O3/c1-5-26-13-18-22-23-20(15-7-9-17(27-6-2)14(3)11-15)24(18)16-8-10-19(25-4)21-12-16/h7-12H,5-6,13H2,1-4H3
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
TargetVasopressin V1b receptor(Homo sapiens (Human))
DrugMolDesign

Curated by ChEMBL
LigandPNGBDBM50263856(5-(3-(4-ethoxy-3-methylphenyl)-5-(ethoxymethyl)-4H...)
Show SMILES CCOCc1nnc(-c2ccc(OCC)c(C)c2)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C20H24N4O3/c1-5-26-13-18-22-23-20(15-7-9-17(27-6-2)14(3)11-15)24(18)16-8-10-19(25-4)21-12-16/h7-12H,5-6,13H2,1-4H3
Affinity DataKi: >1.00E+4nMAssay Description:Antagonist activity at human vasopressin V1b receptor by cell based beta-lactamase reporter gene assayMore data for this Ligand-Target Pair
TargetVasopressin V2 receptor(Homo sapiens (Human))
DrugMolDesign

Curated by ChEMBL
LigandPNGBDBM50263856(5-(3-(4-ethoxy-3-methylphenyl)-5-(ethoxymethyl)-4H...)
Show SMILES CCOCc1nnc(-c2ccc(OCC)c(C)c2)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C20H24N4O3/c1-5-26-13-18-22-23-20(15-7-9-17(27-6-2)14(3)11-15)24(18)16-8-10-19(25-4)21-12-16/h7-12H,5-6,13H2,1-4H3
Affinity DataKi: >1.00E+4nMAssay Description:Antagonist activity at human vasopressin V2 receptor by cell based beta-lactamase reporter gene assayMore data for this Ligand-Target Pair