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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1a/V1b receptor' and Ligand = 'BDBM50013633'   
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/V1b receptor


(RAT)		BDBM50013633
PNG
(18-(3-Amino-propyl)-6,15-dibenzyl-3-sec-butyl-16-m...)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCNCN2C1=O
Show InChI InChI=1S/C40H56N8O6/c1-4-26(2)34-40(54)48-25-42-21-19-32(48)37(51)43-29(17-11-20-41)38(52)46(3)33(24-28-15-9-6-10-16-28)39(53)47-22-12-18-31(47)36(50)44-30(35(49)45-34)23-27-13-7-5-8-14-27/h5-10,13-16,26,29-34,42H,4,11-12,17-25,41H2,1-3H3,(H,43,51)(H,44,50)(H,45,49)/t26-,29+,30-,31+,32-,33-,34-/m1/s1
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PC cid
PC sid
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Similars
PubMed
 240n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to rat liver Vasopressin V1 receptor

J Med Chem 33: 1843-5 (1990)


BindingDB Entry DOI: 10.7270/Q2JS9PDK
More data for this
Ligand-Target Pair