Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1b receptor' and Ligand = 'BDBM175067'   

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))	BDBM175067 (US9688678, 28 (+-)-3-(2-ethoxy-5-methoxy-phenyl)-1...) Show SMILES CCOc1ccc(OC)cc1C1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1ccc(OC)cn1)C#N)N1CC2(CN(C2)N2CCN(CC2)C2COC2)C1 |c:14,16| Show InChI InChI=1S/C36H43N7O7S/c1-4-50-32-9-6-27(47-2)16-30(32)36(40-21-35(22-40)23-42(24-35)41-13-11-39(12-14-41)26-19-49-20-26)29-15-25(17-37)5-8-31(29)43(34(36)44)51(45,46)33-10-7-28(48-3)18-38-33/h5-10,15-16,18,26,29,31H,4,11-14,19-24H2,1-3H3	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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