Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1b receptor' and Ligand = 'BDBM174970'   

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))	BDBM174970 (US9688678, 3 (+-)-3-(2-ethoxy-5-methoxy-phenyl)-3-...) Show SMILES CCOc1ccc(OC)c(c1)C1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1cccc2cccnc12)C#N)N1CC2(CN(C2)C2CCN(C)CC2)C1 |c:14,16| Show InChI InChI=1S/C38H42N6O5S/c1-4-49-29-11-13-33(48-3)31(20-29)38(43-24-37(25-43)22-42(23-37)28-14-17-41(2)18-15-28)30-19-26(21-39)10-12-32(30)44(36(38)45)50(46,47)34-9-5-7-27-8-6-16-40-35(27)34/h5-13,16,19-20,28,30,32H,4,14-15,17-18,22-25H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	55	-41.4	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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