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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 = 'BDBM50350848'   
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))		BDBM50350848
PNG
(CHEMBL1817701)
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)NCCOCCO)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C45H71N13O13S2/c1-3-25(2)37-44(69)55-31(21-36(62)50-14-17-71-18-16-59)41(66)54-30(20-34(48)60)40(65)56-32(24-73-72-23-27(47)38(63)53-29(42(67)57-37)19-26-9-5-4-6-10-26)45(70)58-15-8-12-33(58)43(68)52-28(11-7-13-46)39(64)51-22-35(49)61/h4-6,9-10,25,27-33,37,59H,3,7-8,11-24,46-47H2,1-2H3,(H2,48,60)(H2,49,61)(H,50,62)(H,51,64)(H,52,68)(H,53,63)(H,54,66)(H,55,69)(H,56,65)(H,57,67)/t25-,27-,28-,29-,30-,31-,32-,33-,37-/m0/s1
UniProtKB/SwissProt

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Similars
Article
PubMed
n/an/an/an/a 41n/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