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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 = 'BDBM50350858'   
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))
BDBM50350858
PNG
(CHEMBL1817751)
Show SMILES CCNC(=O)C[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](CCN)C(=O)NCC(N)=O)[C@@H](C)CC |r|
Show InChI InChI=1S/C42H65N13O11S2/c1-4-22(3)34-41(65)52-28(18-33(58)47-5-2)38(62)51-27(17-31(45)56)37(61)53-29(21-68-67-20-24(44)35(59)50-26(39(63)54-34)16-23-10-7-6-8-11-23)42(66)55-15-9-12-30(55)40(64)49-25(13-14-43)36(60)48-19-32(46)57/h6-8,10-11,22,24-30,34H,4-5,9,12-21,43-44H2,1-3H3,(H2,45,56)(H2,46,57)(H,47,58)(H,48,60)(H,49,64)(H,50,59)(H,51,62)(H,52,65)(H,53,61)(H,54,63)/t22-,24-,25-,26-,27-,28-,29-,30-,34-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 21n/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