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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 = 'BDBM50362873'   
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))		BDBM50362873
PNG
(CHEMBL1940587)
Show SMILES C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\c2cccc(F)c2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C42H48FN5O5/c1-29(31-13-5-2-6-14-31)44-40(50)36(27-38(49)46-24-20-34(21-25-46)45-22-9-4-10-23-45)47-35(19-18-30-12-11-17-33(43)26-30)39(41(47)51)48-37(28-53-42(48)52)32-15-7-3-8-16-32/h2-3,5-8,11-19,26,29,34-37,39H,4,9-10,20-25,27-28H2,1H3,(H,44,50)/b19-18+/t29-,35-,36-,37-,39+/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.610n/an/an/an/an/an/an/an/a



Lehigh University

Curated by ChEMBL


Assay Description
Displacement of [3H]arginine-vasopressin from human Vasopressin V1a receptor after 30 mins by liquid scintillation counter

Bioorg Med Chem 20: 1337-45 (2012)


Article DOI: 10.1016/j.bmc.2011.12.013
BindingDB Entry DOI: 10.7270/Q2KD1ZCX
More data for this
Ligand-Target Pair