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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 = 'BDBM50350843'   
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))
BDBM50350843
PNG
(CHEMBL1817696)
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)NO)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O
Show InChI InChI=1S/C41H63N13O12S2/c1-3-21(2)33-40(64)50-27(17-32(57)53-66)37(61)49-26(16-30(44)55)36(60)51-28(20-68-67-19-23(43)34(58)48-25(38(62)52-33)15-22-9-5-4-6-10-22)41(65)54-14-8-12-29(54)39(63)47-24(11-7-13-42)35(59)46-18-31(45)56/h4-6,9-10,21,23-29,33,66H,3,7-8,11-20,42-43H2,1-2H3,(H2,44,55)(H2,45,56)(H,46,59)(H,47,63)(H,48,58)(H,49,61)(H,50,64)(H,51,60)(H,52,62)(H,53,57)/t21-,23-,24-,25-,26-,27-,28-,29-,33-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 56n/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