Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1b receptor' and Ligand = 'BDBM175074'   

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))	BDBM175074 (US9688678, 31 (3S)-3-(2-ethoxy-5-methoxy-phenyl)-1...) Show SMILES CCOc1ccc(OC)cc1[C@]1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1ccc(OC)nc1)C#N)N1CC2(CN(C2)C2CCN(C)CC2)C1 |r,c:14,16| Show InChI InChI=1S/C35H42N6O6S/c1-5-47-31-10-7-26(45-3)17-29(31)35(40-22-34(23-40)20-39(21-34)25-12-14-38(2)15-13-25)28-16-24(18-36)6-9-30(28)41(33(35)42)48(43,44)27-8-11-32(46-4)37-19-27/h6-11,16-17,19,25,28,30H,5,12-15,20-23H2,1-4H3/t28?,30?,35-/m0/s1	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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