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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 = 'BDBM50350891'   
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))		BDBM50350891
PNG
(CHEMBL1819560)
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](CCC(=O)NOC)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C43H67N13O12S2/c1-4-23(2)35-42(66)50-27(14-15-34(59)55-68-3)38(62)52-29(19-32(46)57)39(63)53-30(22-70-69-21-25(45)36(60)51-28(40(64)54-35)18-24-10-6-5-7-11-24)43(67)56-17-9-13-31(56)41(65)49-26(12-8-16-44)37(61)48-20-33(47)58/h5-7,10-11,23,25-31,35H,4,8-9,12-22,44-45H2,1-3H3,(H2,46,57)(H2,47,58)(H,48,61)(H,49,65)(H,50,66)(H,51,60)(H,52,62)(H,53,63)(H,54,64)(H,55,59)/t23-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1
UniProtKB/SwissProt

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Similars
Article
PubMed
n/an/an/an/a 28n/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