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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V2 receptor' and Ligand = 'BDBM35666'   
Target/Host
(Institution)
LigandTarget/Host
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 V2 receptor


(Homo sapiens (Human))
BDBM35666
PNG
(BMC173130 Compound 1t | benzazepinelidene acetamid...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C25H23ClF2N4O3/c1-16-8-11-32(30-16)17-6-7-19(21(26)14-17)24(35)31-12-9-25(27,28)20(15-23(34)29-10-13-33)18-4-2-3-5-22(18)31/h2-8,11,14-15,33H,9-10,12-13H2,1H3,(H,29,34)/b20-15-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.70 -45.4n/an/an/an/an/a7.423



Astellas Pharma Inc.



Assay Description
The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...


Bioorg Med Chem 17: 3130-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.001
BindingDB Entry DOI: 10.7270/Q24T6GQM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM35666
PNG
(BMC173130 Compound 1t | benzazepinelidene acetamid...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C25H23ClF2N4O3/c1-16-8-11-32(30-16)17-6-7-19(21(26)14-17)24(35)31-12-9-25(27,28)20(15-23(34)29-10-13-33)18-4-2-3-5-22(18)31/h2-8,11,14-15,33H,9-10,12-13H2,1H3,(H,29,34)/b20-15-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.70 -45.4n/an/an/an/an/a7.423



Astellas Pharma Inc.



Assay Description
The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...


Bioorg Med Chem 17: 8161-7 (2009)


Article DOI: 10.1016/j.bmc.2009.10.038
BindingDB Entry DOI: 10.7270/Q28K77DW
More data for this
Ligand-Target Pair