Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM35669'   

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))	BDBM35669 (benzazepinelidene acetamide derivative, 1d) Show SMILES C[C@@H]1CCN(C1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(Cl)c1 |r| Show InChI InChI=1S/C26H28ClF2N3O3/c1-17-8-11-31(16-17)18-6-7-20(22(27)14-18)25(35)32-12-9-26(28,29)21(15-24(34)30-10-13-33)19-4-2-3-5-23(19)32/h2-7,14-15,17,33H,8-13,16H2,1H3,(H,30,34)/b21-15-/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	13	-44.7	n/a	n/a	n/a	n/a	n/a	7.4	23
Astellas Pharma Inc.					Assay Description Chinese hamster ovary (CHO) cells stably expressing human V1a receptors. Cells were washed with phosphate buffered saline, and then collected in ice-...				Bioorg Med Chem 17: 8161-7 (2009) Article DOI: 10.1016/j.bmc.2009.10.038 BindingDB Entry DOI: 10.7270/Q28K77DW
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