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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V2 receptor' and Ligand = 'BDBM50145124'   
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 V2 receptor


(Homo sapiens (Human))		BDBM50145124
PNG
((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-10-but...)
Show SMILES CCCCC1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C47H67N13O11S2/c1-2-3-11-31-41(66)58-34(24-37(48)62)44(69)59-35(46(71)60-20-8-13-36(60)45(70)56-30(12-7-19-52-47(50)51)40(65)53-25-38(49)63)26-73-72-21-18-39(64)54-32(23-28-14-16-29(61)17-15-28)42(67)57-33(43(68)55-31)22-27-9-5-4-6-10-27/h4-6,9-10,14-17,30-36,61H,2-3,7-8,11-13,18-26H2,1H3,(H2,48,62)(H2,49,63)(H,53,65)(H,54,64)(H,55,68)(H,56,70)(H,57,67)(H,58,66)(H,59,69)(H4,50,51,52)/t30-,31?,32-,33+,34+,35+,36+/m0/s1
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Similars
Article
PubMed
 117n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V2 receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptor...

J Med Chem 47: 2375-88 (2004)


Article DOI: 10.1021/jm030611c
BindingDB Entry DOI: 10.7270/Q2GF0V8C
More data for this
Ligand-Target Pair