Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50354907'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50354907 (CHEMBL1837013) Show SMILES Cc1nnc(C2CCN(CC2)c2ccccn2)n1-c1ccccc1C |(20.94,-16.85,;19.48,-16.37,;19,-14.91,;17.46,-14.91,;16.99,-16.37,;15.66,-17.15,;14.32,-16.39,;12.99,-17.17,;13.01,-18.71,;14.36,-19.47,;15.68,-18.69,;11.68,-19.49,;10.34,-18.73,;9.01,-19.52,;9.03,-21.06,;10.38,-21.82,;11.7,-21.03,;18.23,-17.27,;18.23,-18.81,;16.89,-19.58,;16.89,-21.12,;18.23,-21.89,;19.57,-21.12,;19.56,-19.58,;20.89,-18.8,)| Show InChI InChI=1S/C20H23N5/c1-15-7-3-4-8-18(15)25-16(2)22-23-20(25)17-10-13-24(14-11-17)19-9-5-6-12-21-19/h3-9,12,17H,10-11,13-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	199	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human V1A receptor expressed in CHO cells assessed as inhibition of AVP-induced intracellular calcium release after 30 seconds...				Bioorg Med Chem Lett 21: 5684-7 (2011) Article DOI: 10.1016/j.bmcl.2011.08.038 BindingDB Entry DOI: 10.7270/Q2TB179T
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