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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 = 'BDBM50087549'   
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


(RAT)		BDBM50087549
PNG
(2,4-Dichloro-N-[4-(2-chloro-5,6,7,8-tetrahydro-thi...)
Show SMILES Clc1cc2N(CCCCc2s1)C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C22H17Cl3N2O2S/c23-14-6-9-16(17(24)11-14)21(28)26-15-7-4-13(5-8-15)22(29)27-10-2-1-3-19-18(27)12-20(25)30-19/h4-9,11-12H,1-3,10H2,(H,26,28)
UniProtKB/SwissProt

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PC sid
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PubMed
n/an/a 230n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat V1a receptor

Bioorg Med Chem Lett 10: 695-8 (2000)


BindingDB Entry DOI: 10.7270/Q2X34WP8
More data for this
Ligand-Target Pair