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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 = 'BDBM50350845'   
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))
BDBM50350845
PNG
(CHEMBL1817698)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCCO)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H69N13O12S2/c1-3-24(2)36-43(68)54-30(20-35(61)49-15-9-17-58)40(65)53-29(19-33(47)59)39(64)55-31(23-71-70-22-26(46)37(62)52-28(41(66)56-36)18-25-10-5-4-6-11-25)44(69)57-16-8-13-32(57)42(67)51-27(12-7-14-45)38(63)50-21-34(48)60/h4-6,10-11,24,26-32,36,58H,3,7-9,12-23,45-46H2,1-2H3,(H2,47,59)(H2,48,60)(H,49,61)(H,50,63)(H,51,67)(H,52,62)(H,53,65)(H,54,68)(H,55,64)(H,56,66)/t24-,26-,27-,28-,29-,30-,31-,32-,36-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 19n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay


J Med Chem 54: 4388-98 (2011)


Article DOI: 10.1021/jm200278m
BindingDB Entry DOI: 10.7270/Q2JW8F8J
More data for this
Ligand-Target Pair