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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 = 'BDBM50044773'   
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))
BDBM50044773
PNG
(CHEMBL3353932)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C1CCC1
Show InChI InChI=1S/C44H67N11O12S2/c1-5-24(4)38-43(66)51-28(13-14-33(45)57)40(63)52-31(19-34(46)58)41(64)53-32(22-69-68-16-15-36(60)49-30(42(65)54-38)18-25-9-11-27(56)12-10-25)44(67)55(26-7-6-8-26)21-37(61)50-29(17-23(2)3)39(62)48-20-35(47)59/h9-12,23-24,26,28-32,38,56H,5-8,13-22H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,62)(H,49,60)(H,50,61)(H,51,66)(H,52,63)(H,53,64)(H,54,65)/t24-,28-,29-,30-,31-,32-,38-/m0/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.80n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair