Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1b receptor' and Ligand = 'BDBM175066'   

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 V1b receptor (Homo sapiens (Human))	BDBM175066 (US9688678, 27 (+-)-3-(2-ethoxy-3-pyridyl)-1-[(5-me...) Show SMILES CCOc1ncccc1C1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1ccc(OC)cn1)C#N)N1CC2(CN(C2)N2CCN(C)CC2)C1 |c:12,14| Show InChI InChI=1S/C32H38N8O5S/c1-4-45-29-25(6-5-11-34-29)32(37-19-31(20-37)21-39(22-31)38-14-12-36(2)13-15-38)26-16-23(17-33)7-9-27(26)40(30(32)41)46(42,43)28-10-8-24(44-3)18-35-28/h5-11,16,18,26-27H,4,12-15,19-22H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.5	-47.1	n/a	n/a	n/a	n/a	n/a	7.4	25
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 incu...				US Patent US9688678 (2017) BindingDB Entry DOI: 10.7270/Q2SN0740
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