BDBM50380758 CHEMBL2017867

SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OC\C=C\I)c1

InChI Key InChIKey=ZJWAEMNLDJQLSS-SYZQJQIISA-N

Data  6 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 6 hits for monomerid = 50380758   

TargetVasopressin V1a receptor(Microtus ochrogaster)
Emory University

Curated by ChEMBL
LigandPNGBDBM50380758(CHEMBL2017867)
Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OC\C=C\I)c1
Show InChI InChI=1S/C31H38IN3O6S/c1-42(38,39)34-18-13-26(14-19-34)41-27-9-7-24(29(22-27)40-20-4-15-32)21-31(37)33-16-11-25(12-17-33)35-28-6-3-2-5-23(28)8-10-30(35)36/h2-7,9,15,22,25-26H,8,10-14,16-21H2,1H3/b15-4+
Affinity DataKi:  1.70nMAssay Description:Displacement of [125I]-LVA from prairie vole vasopressin V1A receptor after 72 hrsMore data for this Ligand-Target Pair
TargetOxytocin receptor(Microtus ochrogaster)
Emory University

Curated by ChEMBL
LigandPNGBDBM50380758(CHEMBL2017867)
Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OC\C=C\I)c1
Show InChI InChI=1S/C31H38IN3O6S/c1-42(38,39)34-18-13-26(14-19-34)41-27-9-7-24(29(22-27)40-20-4-15-32)21-31(37)33-16-11-25(12-17-33)35-28-6-3-2-5-23(28)8-10-30(35)36/h2-7,9,15,22,25-26H,8,10-14,16-21H2,1H3/b15-4+
Affinity DataKi:  3.60nMAssay Description:Displacement of [125I]-OVTA from prairie vole Oxytocin receptor after 72 hrsMore data for this Ligand-Target Pair
TargetOxytocin receptor(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50380758(CHEMBL2017867)
Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OC\C=C\I)c1
Show InChI InChI=1S/C31H38IN3O6S/c1-42(38,39)34-18-13-26(14-19-34)41-27-9-7-24(29(22-27)40-20-4-15-32)21-31(37)33-16-11-25(12-17-33)35-28-6-3-2-5-23(28)8-10-30(35)36/h2-7,9,15,22,25-26H,8,10-14,16-21H2,1H3/b15-4+
Affinity DataKi:  10nMAssay Description:Displacement of [3H]oxytocin from human oxytocin receptor after 1.5 hrs by liquid scintillation countingMore data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50380758(CHEMBL2017867)
Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OC\C=C\I)c1
Show InChI InChI=1S/C31H38IN3O6S/c1-42(38,39)34-18-13-26(14-19-34)41-27-9-7-24(29(22-27)40-20-4-15-32)21-31(37)33-16-11-25(12-17-33)35-28-6-3-2-5-23(28)8-10-30(35)36/h2-7,9,15,22,25-26H,8,10-14,16-21H2,1H3/b15-4+
Affinity DataKi:  790nMAssay Description:Displacement of [3H]-AVP from human V1A receptor after 1.5 hrs by liquid scintillation countingMore data for this Ligand-Target Pair
TargetVasopressin V1b receptor(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50380758(CHEMBL2017867)
Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OC\C=C\I)c1
Show InChI InChI=1S/C31H38IN3O6S/c1-42(38,39)34-18-13-26(14-19-34)41-27-9-7-24(29(22-27)40-20-4-15-32)21-31(37)33-16-11-25(12-17-33)35-28-6-3-2-5-23(28)8-10-30(35)36/h2-7,9,15,22,25-26H,8,10-14,16-21H2,1H3/b15-4+
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]-AVP from human V1b receptor after 1.5 hrs by liquid scintillation countingMore data for this Ligand-Target Pair
TargetVasopressin V2 receptor(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50380758(CHEMBL2017867)
Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OC\C=C\I)c1
Show InChI InChI=1S/C31H38IN3O6S/c1-42(38,39)34-18-13-26(14-19-34)41-27-9-7-24(29(22-27)40-20-4-15-32)21-31(37)33-16-11-25(12-17-33)35-28-6-3-2-5-23(28)8-10-30(35)36/h2-7,9,15,22,25-26H,8,10-14,16-21H2,1H3/b15-4+
Affinity DataKi:  1.40E+3nMAssay Description:Displacement of [3H]-AVP from human vasopressin V2 receptor after 1.5 hrs by liquid scintillation countingMore data for this Ligand-Target Pair