Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM316348'   

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))	BDBM316348 (US9617226, Example 29 | cis-2-[2-(3-Chlorophenyl)-...) Show SMILES Clc1cccc(c1)-c1nc2ccc(cc2c(=O)n1CC(=O)NCC1CC1)[C@@H]1C[C@H](CN2CCCCC2)C1 |r,wD:26.29,28.32,(-4,-.77,;-2.67,,;-2.67,1.54,;-1.33,2.31,;,1.54,;;-1.33,-.77,;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,;1.33,-2.31,;,-3.08,;,-4.62,;-1.33,-5.39,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4.21,-7.7,;3.44,-9.03,;8,-3.08,;9.49,-2.68,;9.89,-4.17,;11.22,-4.94,;12.56,-4.17,;12.56,-2.63,;13.89,-1.86,;15.22,-2.63,;15.22,-4.17,;13.89,-4.94,;8.4,-4.57,)| Show InChI InChI=1S/C30H35ClN4O2/c31-25-6-4-5-23(15-25)29-33-27-10-9-22(24-13-21(14-24)18-34-11-2-1-3-12-34)16-26(27)30(37)35(29)19-28(36)32-17-20-7-8-20/h4-6,9-10,15-16,20-21,24H,1-3,7-8,11-14,17-19H2,(H,32,36)/t21-,24+	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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