Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1b receptor' and Ligand = 'BDBM175060'   

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))	BDBM175060 (US9688678, 21 (+-)-3-(2,5-dimethoxyphenyl)-1-[(5-m...) Show SMILES COc1ccc(nc1)S(=O)(=O)N1C2C=CC(=CC2C(N2CC3(CN(C3)C3CCN(C)CC3)C2)(C1=O)c1cc(OC)ccc1OC)C#N |c:14,16| Show InChI InChI=1S/C34H40N6O6S/c1-37-13-11-24(12-14-37)38-19-33(20-38)21-39(22-33)34(28-16-25(44-2)6-9-30(28)46-4)27-15-23(17-35)5-8-29(27)40(32(34)41)47(42,43)31-10-7-26(45-3)18-36-31/h5-10,15-16,18,24,27,29H,11-14,19-22H2,1-4H3	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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