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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V2 receptor (V2)' and Ligand = 'BDBM35723'   
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 (V2)


(Homo sapiens (Human))
BDBM35723
PNG
(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1
Show InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)
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PubMed
0.430n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35723
PNG
(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1
Show InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)
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Article
PubMed
0.430n/an/an/an/an/an/an/an/a



Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Concentration of the compound which inhibit [3H]-AVP binding to human Vasopressin V2 receptor coded HeLa cells by 50%


J Med Chem 43: 4388-97 (2000)


Article DOI: 10.1021/jm000108p
BindingDB Entry DOI: 10.7270/Q2PG1R04
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35723
PNG
(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1
Show InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)
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Article
PubMed
n/an/a 3n/an/an/an/a7.44



Otsuka Pharmaceutical Co., Ltd



Assay Description
After reaching confluence in 12-well or 24-well dishes, the cells were washed twice with ice-cold PBS and incubated for 2 hr with [3H]-AVP at 4 deg C...


Bioorg Med Chem 7: 1743-54


Article DOI: 10.1080/14756360600991017
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair