Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM316337'   

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))	BDBM316337 (US9617226, Example 18 | cis-2-[2-(3-Chlorophenyl)-...) Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCC=CC2)C1)-c1cccc(Cl)c1 |r,wD:18.19,20.22,c:27,(,-7.7,;-1.33,-6.93,;-2.67,-7.7,;-1.33,-5.39,;,-4.62,;1.33,-5.39,;,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;2.67,-4.62,;8,-3.08,;9.49,-2.68,;9.89,-4.17,;11.22,-4.94,;11.22,-6.48,;12.56,-7.25,;12.56,-8.79,;11.22,-9.56,;9.89,-8.79,;9.89,-7.25,;8.4,-4.57,;;-1.33,-.77,;-2.67,,;-2.67,1.54,;-1.33,2.31,;-1.33,3.85,;,1.54,)| Show InChI InChI=1S/C29H33ClN4O2/c1-19(2)31-27(35)18-34-28(22-7-6-8-24(30)15-22)32-26-10-9-21(16-25(26)29(34)36)23-13-20(14-23)17-33-11-4-3-5-12-33/h3-4,6-10,15-16,19-20,23H,5,11-14,17-18H2,1-2H3,(H,31,35)/t20-,23+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.5	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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