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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 = 'BDBM50239345'   
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))		BDBM50239345
PNG
(CHEMBL4078185)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](O)c2c(C)cccc12 |r,@:18|
Show InChI InChI=1S/C26H26N2O3/c1-17-7-3-4-9-21(17)25(30)27-20-14-12-19(13-15-20)26(31)28-16-6-11-23(29)24-18(2)8-5-10-22(24)28/h3-5,7-10,12-15,23,29H,6,11,16H2,1-2H3,(H,27,30)/t23-/m1/s1
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Article
PubMed
 78n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [125I] phenylacetyl-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2 from human recombinant vasopressin V1a receptor expressed in HEK293 aft...

J Med Chem 60: 4503-4509 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00422
BindingDB Entry DOI: 10.7270/Q27946TN
More data for this
Ligand-Target Pair