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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 = 'BDBM50087552'   
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)		BDBM50087552
PNG
(Biphenyl-2-carboxylic acid [4-(5H,11H-benzo[e]pyrr...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C32H25N3O2/c36-31(29-14-6-5-13-28(29)23-9-2-1-3-10-23)33-26-18-16-24(17-19-26)32(37)35-22-27-12-8-20-34(27)21-25-11-4-7-15-30(25)35/h1-20H,21-22H2,(H,33,36)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.40n/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