Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM316365'   

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))	BDBM316365 (US9617226, Example 46 | cis-2-[2-(3-Chlorophenyl)-...) Show SMILES C[C@@H](NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCCCC2)C1)-c1cccc(Cl)c1)C(F)(F)F |wU:1.0,wD:17.18,19.21,(,-7.7,;1.33,-6.93,;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,;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,;;,1.54,;-1.33,2.31,;-2.67,1.54,;-2.67,,;-4,-.77,;-1.33,-.77,;2.67,-7.7,;4,-8.47,;3.44,-6.37,;1.9,-9.03,)| Show InChI InChI=1S/C29H32ClF3N4O2/c1-18(29(31,32)33)34-26(38)17-37-27(21-6-5-7-23(30)14-21)35-25-9-8-20(15-24(25)28(37)39)22-12-19(13-22)16-36-10-3-2-4-11-36/h5-9,14-15,18-19,22H,2-4,10-13,16-17H2,1H3,(H,34,38)/t18-,19-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	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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