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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 = 'BDBM50077456'   
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))		BDBM50077456
PNG
(CHEMBL3416874)
Show SMILES Clc1ccc2c(c[nH]c2c1)C(=O)N1CCC2(COc3ccccc23)CC1
Show InChI InChI=1S/C21H19ClN2O2/c22-14-5-6-15-16(12-23-18(15)11-14)20(25)24-9-7-21(8-10-24)13-26-19-4-2-1-3-17(19)21/h1-6,11-12,23H,7-10,13H2
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 16n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay

J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair