Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1b receptor' and Ligand = 'BDBM175058'   

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))	BDBM175058 (US9688678, 19 (+-)-3-(2-ethoxy-5-methoxy-phenyl)-3...) Show SMILES CCOc1ccc(OC)cc1C1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1ccc(OC)cn1)C#N)N1CC2(CN(C2)C2CCN(CC2)C(C)C)C1 |c:14,16| Show InChI InChI=1S/C37H46N6O6S/c1-6-49-33-11-8-28(47-4)18-31(33)37(42-23-36(24-42)21-41(22-36)27-13-15-40(16-14-27)25(2)3)30-17-26(19-38)7-10-32(30)43(35(37)44)50(45,46)34-12-9-29(48-5)20-39-34/h7-12,17-18,20,25,27,30,32H,6,13-16,21-24H2,1-5H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	<-51.4	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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