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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' AND taxid = 79684   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vasopressin V1a receptor


(Microtus ochrogaster)
BDBM50380758
PNG
(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+
UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [125I]-LVA from prairie vole vasopressin V1A receptor after 72 hrs


Bioorg Med Chem 20: 2721-38 (2012)

More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Microtus ochrogaster)
BDBM50380759
PNG
(CHEMBL2017869)
Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OCCF)c1
Show InChI InChI=1S/C30H38FN3O6S/c1-41(37,38)33-17-12-25(13-18-33)40-26-8-6-23(28(21-26)39-19-14-31)20-30(36)32-15-10-24(11-16-32)34-27-5-3-2-4-22(27)7-9-29(34)35/h2-6,8,21,24-25H,7,9-20H2,1H3
UniProtKB/SwissProt

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PubMed
9.40n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [125I]-LVA from prairie vole vasopressin V1A receptor after 72 hrs


Bioorg Med Chem 20: 2721-38 (2012)

More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Microtus ochrogaster)
BDBM50380757
PNG
(CHEMBL2017868)
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-
UniProtKB/SwissProt

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PC sid
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PubMed
16n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [125I]-LVA from prairie vole vasopressin V1A receptor after 72 hrs


Bioorg Med Chem 20: 2721-38 (2012)

More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Microtus ochrogaster)
BDBM50380760
PNG
(CHEMBL2017979)
Show SMILES COc1cc(OC2CCN(CC2)S(C)(=O)=O)ccc1CC(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
Show InChI InChI=1S/C29H37N3O6S/c1-37-27-20-25(38-24-13-17-31(18-14-24)39(2,35)36)9-7-22(27)19-29(34)30-15-11-23(12-16-30)32-26-6-4-3-5-21(26)8-10-28(32)33/h3-7,9,20,23-24H,8,10-19H2,1-2H3
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
78n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [125I]-LVA from prairie vole vasopressin V1A receptor after 72 hrs


Bioorg Med Chem 20: 2721-38 (2012)

More data for this
Ligand-Target Pair