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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 = 'BDBM50350889'   
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))
BDBM50350889
PNG
(CHEMBL1819558)
Show SMILES CCNC(=O)CC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)[C@@H](C)CC
Show InChI InChI=1S/C44H69N13O11S2/c1-4-24(3)36-43(67)52-28(15-16-35(60)49-5-2)39(63)54-30(20-33(47)58)40(64)55-31(23-70-69-22-26(46)37(61)53-29(41(65)56-36)19-25-11-7-6-8-12-25)44(68)57-18-10-14-32(57)42(66)51-27(13-9-17-45)38(62)50-21-34(48)59/h6-8,11-12,24,26-32,36H,4-5,9-10,13-23,45-46H2,1-3H3,(H2,47,58)(H2,48,59)(H,49,60)(H,50,62)(H,51,66)(H,52,67)(H,53,61)(H,54,63)(H,55,64)(H,56,65)/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 97n/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