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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1b receptor' and Ligand = 'BDBM50044744'   
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 V1b receptor


(Homo sapiens (Human))
BDBM50044744
PNG
(CHEMBL3354577)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCOC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C44H69N11O12S/c1-6-26(4)38-43(65)51-28(14-15-33(45)56)40(62)52-31(21-34(46)57)41(63)53-32(24-68-18-10-13-36(59)49-30(42(64)54-38)20-27-11-8-7-9-12-27)44(66)55(16-17-67-5)23-37(60)50-29(19-25(2)3)39(61)48-22-35(47)58/h7-9,11-12,25-26,28-32,38H,6,10,13-24H2,1-5H3,(H2,45,56)(H2,46,57)(H2,47,58)(H,48,61)(H,49,59)(H,50,60)(H,51,65)(H,52,62)(H,53,63)(H,54,64)/t26-,28-,29-,30-,31-,32-,38-/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1b 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