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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 = 'BDBM50397211'   
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))
BDBM50397211
PNG
(CHEMBL2172393)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCOCCOCCOCCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C66H72N6O12S2/c1-5-70(6-2)49-28-31-55-60(43-49)84-61-44-50(71(7-3)8-4)29-32-56(61)64(55)57-33-30-51(45-62(57)86(78,79)80)85(76,77)67-35-38-82-40-42-83-41-39-81-37-34-63(73)69-58-22-16-36-72(59-23-15-14-21-54(58)59)66(75)47-24-26-48(27-25-47)68-65(74)53-20-13-12-19-52(53)46-17-10-9-11-18-46/h9-15,17-21,23-33,43-45,58,67H,5-8,16,22,34-42H2,1-4H3,(H2-,68,69,73,74,75,78,79,80)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
16.8n/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