Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM316334'   

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))	BDBM316334 (US9617226, Example 15 | cis-2-[2-(3-Chlorophenyl)-...) Show SMILES CCN(CC)C[C@H]1C[C@H](C1)c1ccc2nc(-c3cccc(Cl)c3)n(CC(=O)NC(C)C)c(=O)c2c1 |r,wD:8.10,6.5,(15.22,-4.17,;13.89,-4.94,;12.56,-4.17,;12.56,-2.63,;13.89,-1.86,;11.22,-4.94,;9.89,-4.17,;9.49,-2.68,;8,-3.08,;8.4,-4.57,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-2.67,,;-2.67,1.54,;-1.33,2.31,;-1.33,3.85,;,1.54,;1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;-1.33,-5.39,;-1.33,-6.93,;,-7.7,;-2.67,-7.7,;2.67,-3.08,;2.67,-4.62,;4,-2.31,;5.33,-3.08,)| Show InChI InChI=1S/C28H35ClN4O2/c1-5-32(6-2)16-19-12-22(13-19)20-10-11-25-24(15-20)28(35)33(17-26(34)30-18(3)4)27(31-25)21-8-7-9-23(29)14-21/h7-11,14-15,18-19,22H,5-6,12-13,16-17H2,1-4H3,(H,30,34)/t19-,22+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG US Patent					Assay Description The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...				US Patent US9617226 (2017) BindingDB Entry DOI: 10.7270/Q2639RTS
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