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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V2 receptor (V2)' and Ligand = 'BDBM50397212'   
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))
BDBM50397212
PNG
(CHEMBL2172392)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)N3CCN(CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6-c6ccccc6)cc5)c5ccccc45)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C64H67N7O9S2/c1-5-68(6-2)47-28-31-53-58(41-47)80-59-42-48(69(7-3)8-4)29-32-54(59)62(53)55-33-30-49(43-60(55)82(77,78)79)81(75,76)70-39-37-67(38-40-70)36-34-61(72)66-56-22-16-35-71(57-23-15-14-21-52(56)57)64(74)45-24-26-46(27-25-45)65-63(73)51-20-13-12-19-50(51)44-17-10-9-11-18-44/h9-15,17-21,23-33,41-43,56H,5-8,16,22,34-40H2,1-4H3,(H2-,65,66,72,73,74,77,78,79)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12.7n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V2 receptor expressed in CHO cells after 30 mins


J Med Chem 55: 8588-602 (2012)


Article DOI: 10.1021/jm3006146
BindingDB Entry DOI: 10.7270/Q28G8MT5
More data for this
Ligand-Target Pair