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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50145121'   
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 V1a receptor


(Homo sapiens (Human))		BDBM50145121
PNG
((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-10-(aminomethyl)...)
Show SMILES NCC1NC(=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/C44H62N14O11S2/c45-21-31-41(67)55-30(20-34(46)60)40(66)57-32(43(69)58-16-5-9-33(58)42(68)53-27(8-4-15-50-44(48)49)37(63)51-22-35(47)61)23-71-70-17-14-36(62)52-28(19-25-10-12-26(59)13-11-25)38(64)54-29(39(65)56-31)18-24-6-2-1-3-7-24/h1-3,6-7,10-13,27-33,59H,4-5,8-9,14-23,45H2,(H2,46,60)(H2,47,61)(H,51,63)(H,52,62)(H,53,68)(H,54,64)(H,55,67)(H,56,65)(H,57,66)(H4,48,49,50)/t27-,28-,29+,30+,31?,32+,33+/m0/s1
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Similars
Article
PubMed
 19.7n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1a receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...

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