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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 = 'BDBM50135414'   
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))
BDBM50135414
PNG
(Biphenyl-2-carboxylic acid {4-[2-(2-hydroxy-ethyl)...)
Show SMILES OCCC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H28N2O3S/c34-21-19-25-18-20-33(28-12-6-7-13-29(28)37-25)31(36)23-14-16-24(17-15-23)32-30(35)27-11-5-4-10-26(27)22-8-2-1-3-9-22/h1-17,25,34H,18-21H2,(H,32,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-arginine vasopressin in cloned human V2 receptor


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50135414
PNG
(Biphenyl-2-carboxylic acid {4-[2-(2-hydroxy-ethyl)...)
Show SMILES OCCC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H28N2O3S/c34-21-19-25-18-20-33(28-12-6-7-13-29(28)37-25)31(36)23-14-16-24(17-15-23)32-30(35)27-11-5-4-10-26(27)22-8-2-1-3-9-22/h1-17,25,34H,18-21H2,(H,32,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 100n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of vasopressin induced calcium immobilization in human V1a receptor expressing cells


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair